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Compile Data Set for Download or QSAR

Found 84 hits of Enz. Inhib. data with enzyme = 'Cathepsin L1' and Substrate = 'BDBM19485'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 -14.0n/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))
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 -13.7n/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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0.630 -12.4n/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))
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 -11.7n/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 -11.3n/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))
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 -11.3n/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 -11.3n/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))
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 -10.9n/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))
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 -10.8n/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))
BDBM19810
PNG
(CHEMBL118449 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H44N4O7/c1-22(2)17-27(35-32(41)43-20-24-11-7-5-8-12-24)30(39)34-26-15-16-37(19-29(26)38)31(40)28(18-23(3)4)36-33(42)44-21-25-13-9-6-10-14-25/h5-14,22-23,26-28H,15-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26?,27-,28-/m0/s1
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16n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19807
PNG
(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27?/m0/s1
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39n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
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 -9.91n/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))
BDBM19809
PNG
(benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl...)
Show SMILES CC(C)C[C@H](N(C)C(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H46N4O7/c1-23(2)17-28(36(5)33(42)44-21-25-13-9-7-10-14-25)31(40)35-27-19-38(20-30(27)39)32(41)29(18-24(3)4)37(6)34(43)45-22-26-15-11-8-12-16-26/h7-16,23-24,27-29H,17-22H2,1-6H3,(H,35,40)/t27?,28-,29-/m0/s1
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49n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
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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52 -9.83n/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))
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 -9.21n/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))
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 -9.17n/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))
BDBM19804
PNG
((2S)-4-methyl-N-(4-oxooxolan-3-yl)-2-(quinolin-2-y...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O
Show InChI InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1
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250n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19812
PNG
([(2S)-1-{3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-...)
Show SMILES C[NH2+][C@@H](CC(C)C)C(=O)N1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1
Show InChI InChI=1S/C25H38N4O5/c1-16(2)11-19(28-25(33)34-15-18-9-7-6-8-10-18)23(31)27-21-13-29(14-22(21)30)24(32)20(26-5)12-17(3)4/h6-10,16-17,19-21,26H,11-15H2,1-5H3,(H,27,31)(H,28,33)/p+1/t19-,20-,21?/m0/s1
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400n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19797
PNG
(CHEMBL301683 | acyclic alkoxymethyl ketone inhibit...)
Show SMILES COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-14(3)17(22)12-25-4)21-19(24)26-11-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,23)(H,21,24)/t14-,16-/m0/s1
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513n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19805
PNG
(benzyl N-[(1S)-1-[(1-acetyl-4-oxopyrrolidin-3-yl)c...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(C)=O
Show InChI InChI=1S/C20H27N3O5/c1-13(2)9-16(22-20(27)28-12-15-7-5-4-6-8-15)19(26)21-17-10-23(14(3)24)11-18(17)25/h4-8,13,16-17H,9-12H2,1-3H3,(H,21,26)(H,22,27)/t16-,17?/m0/s1
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580n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19799
PNG
(4-amidotetrahydropyran-3-one, 4 | benzyl N-[(1S)-3...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O
Show InChI InChI=1S/C19H26N2O5/c1-13(2)10-16(18(23)20-15-8-9-25-12-17(15)22)21-19(24)26-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1
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850n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19802
PNG
(alcohol, 13 | benzyl N-[(1S)-1-[(4-hydroxyoxolan-3...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1O
Show InChI InChI=1S/C18H26N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?,16?/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19803
PNG
(alcohol, 14 | benzyl N-[(1S)-1-[(3-hydroxyoxan-4-y...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1O
Show InChI InChI=1S/C19H28N2O5/c1-13(2)10-16(18(23)20-15-8-9-25-12-17(15)22)21-19(24)26-11-14-6-4-3-5-7-14/h3-7,13,15-17,22H,8-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-,17?/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19486
PNG
(2-[2-(2,3,4-trifluorophenyl)phenoxy]acetaldehyde |...)
Show SMILES Fc1ccc(c(F)c1F)-c1ccccc1OCC=O
Show InChI InChI=1S/C14H9F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-7H,8H2
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1.54E+3 -8.24n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 50: 2693-9 (2007)


Article DOI: 10.1021/jm070111+
BindingDB Entry DOI: 10.7270/Q2BP012X
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19798
PNG
(3-amidotetrahydrofuran-4-one, 3 | CHEMBL61805 | be...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O
Show InChI InChI=1S/C18H24N2O5/c1-12(2)8-14(17(22)19-15-10-24-11-16(15)21)20-18(23)25-9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,15?/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19487
PNG
(2-[2-(2,3-difluoro-4-propylphenyl)phenoxy]acetalde...)
Show SMILES CCCc1ccc(c(F)c1F)-c1ccccc1OCC=O
Show InChI InChI=1S/C17H16F2O2/c1-2-5-12-8-9-14(17(19)16(12)18)13-6-3-4-7-15(13)21-11-10-20/h3-4,6-10H,2,5,11H2,1H3
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5.19E+3 -7.49n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 50: 2693-9 (2007)


Article DOI: 10.1021/jm070111+
BindingDB Entry DOI: 10.7270/Q2BP012X
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19479
PNG
(1, 2, 3 -Triazole Nitrile Inhibitor, 11a | N-[(2S)...)
Show SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C
Show InChI InChI=1S/C20H27N5O/c1-5-6-12-17(13-21)25-14-18(23-24-25)20(4,15(2)3)22-19(26)16-10-8-7-9-11-16/h7-11,14-15,17H,5-6,12H2,1-4H3,(H,22,26)/t17-,20-/m0/s1
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>1.00E+4>-7.09n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 49: 6298-307 (2006)


Article DOI: 10.1021/jm060701s
BindingDB Entry DOI: 10.7270/Q2GF0RSV
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19481
PNG
(1, 2, 3 -Triazole Nitrile Inhibitor, 11b | N-[(2S)...)
Show SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C(C)C
Show InChI InChI=1S/C18H25N5OS/c1-5-6-7-15(10-19)23-11-16(21-22-23)18(4,13(2)3)20-17(24)14-8-9-25-12-14/h8-9,11-13,15H,5-7H2,1-4H3,(H,20,24)/t15-,18-/m0/s1
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>1.00E+4>-7.09n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 49: 6298-307 (2006)


Article DOI: 10.1021/jm060701s
BindingDB Entry DOI: 10.7270/Q2GF0RSV
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19482
PNG
(1, 2, 3 -Triazole Nitrile Inhibitor, 11c | N-[(1S)...)
Show SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C23H31N5O/c1-3-4-15-20(16-24)28-17-21(26-27-28)23(2,19-13-9-6-10-14-19)25-22(29)18-11-7-5-8-12-18/h5,7-8,11-12,17,19-20H,3-4,6,9-10,13-15H2,1-2H3,(H,25,29)/t20-,23-/m0/s1
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>1.00E+4>-7.09n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 49: 6298-307 (2006)


Article DOI: 10.1021/jm060701s
BindingDB Entry DOI: 10.7270/Q2GF0RSV
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19483
PNG
(1, 2, 3 -Triazole Nitrile Inhibitor, 11d | N-[(1S)...)
Show SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CCCCC1
Show InChI InChI=1S/C21H29N5OS/c1-3-4-10-18(13-22)26-14-19(24-25-26)21(2,17-8-6-5-7-9-17)23-20(27)16-11-12-28-15-16/h11-12,14-15,17-18H,3-10H2,1-2H3,(H,23,27)/t18-,21-/m0/s1
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>1.00E+4>-7.09n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 49: 6298-307 (2006)


Article DOI: 10.1021/jm060701s
BindingDB Entry DOI: 10.7270/Q2GF0RSV
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19800
PNG
(benzyl N-[(1S)-3-methyl-1-[(2-oxocyclopentyl)carba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O
Show InChI InChI=1S/C19H26N2O4/c1-13(2)11-16(18(23)20-15-9-6-10-17(15)22)21-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,20,23)(H,21,24)/t15?,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19801
PNG
(benzyl N-[(1S)-3-methyl-1-[(2-oxocyclohexyl)carbam...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1=O
Show InChI InChI=1S/C20H28N2O4/c1-14(2)12-17(19(24)21-16-10-6-7-11-18(16)23)22-20(25)26-13-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H,21,24)(H,22,25)/t16?,17-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19484
PNG
(1, 2, 3 -Triazole Nitrile Inhibitor, 11e | N-[(1S)...)
Show SMILES CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CC[C@H](C)CC1
Show InChI InChI=1S/C22H31N5OS/c1-4-5-6-19(13-23)27-14-20(25-26-27)22(3,18-9-7-16(2)8-10-18)24-21(28)17-11-12-29-15-17/h11-12,14-16,18-19H,4-10H2,1-3H3,(H,24,28)/t16-,18?,19-,22-/m0/s1
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>1.50E+4>-6.84n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 49: 6298-307 (2006)


Article DOI: 10.1021/jm060701s
BindingDB Entry DOI: 10.7270/Q2GF0RSV
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19488
PNG
(2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...)
Show SMILES CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O
Show InChI InChI=1S/C18H18F2O2/c1-12(2)11-13-7-8-15(18(20)17(13)19)14-5-3-4-6-16(14)22-10-9-21/h3-9,12H,10-11H2,1-2H3
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>1.50E+4>-6.84n/an/an/an/an/a6.137



University of California at Berkeley



Assay Description
The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...


J Med Chem 50: 2693-9 (2007)


Article DOI: 10.1021/jm070111+
BindingDB Entry DOI: 10.7270/Q2BP012X
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19732
PNG
(2-Cyano-pyrimidine, 16b | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-7-15(8-10-17)11-12-23-21(27)18-14-24-19(13-22)26-20(18)25-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,23,27)(H,24,25,26)
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n/an/a 0.170n/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))
BDBM19733
PNG
(2-Cyano-pyrimidine, 16c | 2-cyano-4-(cyclohexylami...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1
Show InChI InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)
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n/an/a 0.310n/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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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
Cathepsin L1


(Homo sapiens (human))
BDBM19736
PNG
(2-Cyano-pyrimidine, 17a | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-10-9-14-5-7-15(27-4)8-6-14/h5-8,12H,9-10,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a 0.340n/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))
BDBM19735
PNG
(2-Cyano-pyrimidine, 16e | 2-cyano-4-(cyclohexylami...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H33N7O/c1-31-13-15-32(16-14-31)21-9-7-19(8-10-21)11-12-27-25(33)22-18-28-23(17-26)30-24(22)29-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-16H2,1H3,(H,27,33)(H,28,29,30)
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n/an/a 0.450n/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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n/an/a 0.520n/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))
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))
BDBM19740
PNG
(2-Cyano-pyrimidine, 17e | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)
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n/an/a 0.820n/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))
BDBM19731
PNG
(2-Cyano-pyrimidine, 16a | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C20H23N5O/c21-13-18-23-14-17(19(25-18)24-16-9-5-2-6-10-16)20(26)22-12-11-15-7-3-1-4-8-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,22,26)(H,23,24,25)
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n/an/a 1.10n/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))
BDBM19737
PNG
(2-Cyano-pyrimidine, 17b | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
Show InChI InChI=1S/C20H25N5O2/c1-20(2,3)13-24-18-16(12-23-17(11-21)25-18)19(26)22-9-8-14-6-5-7-15(10-14)27-4/h5-7,10,12H,8-9,13H2,1-4H3,(H,22,26)(H,23,24,25)
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n/an/a 1.20n/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))
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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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))
BDBM19739
PNG
(2-Cyano-pyrimidine, 17d | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-10-9-18-5-7-19(8-6-18)31-13-11-30(4)12-14-31/h5-8,16H,9-14,17H2,1-4H3,(H,26,32)(H,27,28,29)
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n/an/a 3.90n/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))
BDBM19734
PNG
(2-Cyano-pyrimidine, 16d | 2-cyano-4-(cyclohexylami...)
Show SMILES O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N
Show InChI InChI=1S/C24H30N6O/c25-16-22-27-17-21(23(29-22)28-19-6-2-1-3-7-19)24(31)26-13-12-18-8-10-20(11-9-18)30-14-4-5-15-30/h8-11,17,19H,1-7,12-15H2,(H,26,31)(H,27,28,29)
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n/an/a 5.10n/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))
BDBM19783
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


Bioorg Med Chem Lett 17: 22-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.102
BindingDB Entry DOI: 10.7270/Q2NZ85XC
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19738
PNG
(2-Cyano-pyrimidine, 17c | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(cc1)N1CCCC1)C#N
Show InChI InChI=1S/C23H30N6O/c1-23(2,3)16-27-21-19(15-26-20(14-24)28-21)22(30)25-11-10-17-6-8-18(9-7-17)29-12-4-5-13-29/h6-9,15H,4-5,10-13,16H2,1-3H3,(H,25,30)(H,26,27,28)
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n/an/a>10n/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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