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Compile Data Set for Download or QSAR

Found 1969 hits Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)'   
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 (B and K)


(Homo sapiens)
BDBM93204
PNG
(Mercaptomethyl ketone Inhibitor, 53)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O
Show InChI InChI=1S/C26H33N3O7S/c27-13-5-4-8-21(23(31)16-37-17-24(32)33)28-25(34)22(14-18-9-11-20(30)12-10-18)29-26(35)36-15-19-6-2-1-3-7-19/h1-3,6-7,9-12,21-22,30H,4-5,8,13-17,27H2,(H,28,34)(H,29,35)(H,32,33)/t21-,22-/m0/s1
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2n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93203
PNG
(Mercaptomethyl ketone Inhibitor, 52)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CSCC(O)=O
Show InChI InChI=1S/C26H33N3O6S/c27-14-8-7-13-21(23(30)17-36-18-24(31)32)28-25(33)22(15-19-9-3-1-4-10-19)29-26(34)35-16-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18,27H2,(H,28,33)(H,29,34)(H,31,32)/t21-,22-/m0/s1
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4.70n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93196
PNG
(Mercaptomethyl ketone Inhibitor, 45)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CSCCC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C31H40N6O6S/c32-30(33)34-16-7-12-23(27(39)20-44-17-15-26(38)24-13-14-28(40)35-24)36-29(41)25(18-21-8-3-1-4-9-21)37-31(42)43-19-22-10-5-2-6-11-22/h1-6,8-11,23-25H,7,12-20H2,(H,35,40)(H,36,41)(H,37,42)(H4,32,33,34)/t23-,24?,25-/m0/s1
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13n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93198
PNG
(Mercaptomethyl ketone Inhibitor, 47)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C30H32Cl3N5O5S/c31-21-14-23(33)27(15-22(21)32)44-17-26(40)24(7-4-12-36-29(34)35)37-28(41)25(13-18-8-10-20(39)11-9-18)38-30(42)43-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15,24-25,39H,4,7,12-13,16-17H2,(H,37,41)(H,38,42)(H4,34,35,36)/t24-,25-/m0/s1
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50n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93202
PNG
(Mercaptomethyl ketone Inhibitor, 51)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCCC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C28H42N4O6S/c1-19(2)16-23(32-28(37)38-17-20-8-4-3-5-9-20)27(36)31-21(10-6-7-14-29)25(34)18-39-15-13-24(33)22-11-12-26(35)30-22/h3-5,8-9,19,21-23H,6-7,10-18,29H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)/t21-,22?,23-/m0/s1
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50n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93197
PNG
(Mercaptomethyl ketone Inhibitor, 46)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CSCCC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C31H40N6O7S/c32-30(33)34-15-4-7-23(27(40)19-45-16-14-26(39)24-12-13-28(41)35-24)36-29(42)25(17-20-8-10-22(38)11-9-20)37-31(43)44-18-21-5-2-1-3-6-21/h1-3,5-6,8-11,23-25,38H,4,7,12-19H2,(H,35,41)(H,36,42)(H,37,43)(H4,32,33,34)/t23-,24?,25-/m0/s1
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110n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93201
PNG
(Mercaptomethyl ketone Inhibitor, 50)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCc1ccccc1
Show InChI InChI=1S/C28H39N3O4S/c1-21(2)17-25(31-28(34)35-18-22-11-5-3-6-12-22)27(33)30-24(15-9-10-16-29)26(32)20-36-19-23-13-7-4-8-14-23/h3-8,11-14,21,24-25H,9-10,15-20,29H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1
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111n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93200
PNG
(Mercaptomethyl ketone Inhibitor, 49)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C30H43N3O4S/c1-23(2)20-27(33-30(36)37-21-25-14-7-4-8-15-25)29(35)32-26(17-9-10-18-31)28(34)22-38-19-11-16-24-12-5-3-6-13-24/h3-8,12-15,23,26-27H,9-11,16-22,31H2,1-2H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
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130n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93199
PNG
(Mercaptomethyl ketone Inhibitor, 48)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CSCCCc1ccccc1
Show InChI InChI=1S/C30H43N5O4S/c1-22(2)19-26(35-30(38)39-20-24-13-7-4-8-14-24)28(37)34-25(16-9-17-33-29(31)32)27(36)21-40-18-10-15-23-11-5-3-6-12-23/h3-8,11-14,22,25-26H,9-10,15-21H2,1-2H3,(H,34,37)(H,35,38)(H4,31,32,33)/t25-,26-/m0/s1
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140n/an/an/an/an/an/a5.5n/a



University of California-Berkeley



Assay Description
A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...


J Comb Chem 5: 869-80


Article DOI: 10.1021/cc034008r
BindingDB Entry DOI: 10.7270/Q28914GH
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
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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440 -35.9n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM93179
PNG
(Cathepsin Inhibitor, Column 4 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H33N5O4/c1-20(2)30(37-31(40)25-12-13-27-24(18-25)10-7-15-34-27)32(41)36-21(3)28(38)19-35-29(39)17-22-8-6-9-23(16-22)26-11-4-5-14-33-26/h4-16,18,20-21,30H,17,19H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t21?,30-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93173
PNG
(Cathepsin Inhibitor, Column 2 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C30H31F3N4O4/c1-18(2)27(37-28(40)21-10-12-23(13-11-21)30(31,32)33)29(41)36-19(3)25(38)17-35-26(39)16-20-7-6-8-22(15-20)24-9-4-5-14-34-24/h4-15,18-19,27H,16-17H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t19?,27-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93172
PNG
(Cathepsin Inhibitor, Column 2 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C34H31F3N4O4/c1-22(30(42)21-39-31(43)20-24-10-7-11-26(18-24)28-12-5-6-17-38-28)40-33(45)29(19-23-8-3-2-4-9-23)41-32(44)25-13-15-27(16-14-25)34(35,36)37/h2-18,22,29H,19-21H2,1H3,(H,39,43)(H,40,45)(H,41,44)/t22?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93171
PNG
(Cathepsin Inhibitor, Column 2 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C31H33F3N4O4/c1-19(2)15-26(38-29(41)22-10-12-24(13-11-22)31(32,33)34)30(42)37-20(3)27(39)18-36-28(40)17-21-7-6-8-23(16-21)25-9-4-5-14-35-25/h4-14,16,19-20,26H,15,17-18H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t20?,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93170
PNG
(Cathepsin Inhibitor, Column 1 Row 3)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C24H30N4O4/c1-15(2)23(28-17(4)29)24(32)27-16(3)21(30)14-26-22(31)13-18-8-7-9-19(12-18)20-10-5-6-11-25-20/h5-12,15-16,23H,13-14H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)/t16?,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93169
PNG
(Cathepsin Inhibitor, Column 1 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C28H30N4O4/c1-19(31-28(36)25(32-20(2)33)16-21-9-4-3-5-10-21)26(34)18-30-27(35)17-22-11-8-12-23(15-22)24-13-6-7-14-29-24/h3-15,19,25H,16-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,33)/t19?,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93168
PNG
(Cathepsin Inhibitor, Column 1 Row 1)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C25H32N4O4/c1-16(2)12-22(29-18(4)30)25(33)28-17(3)23(31)15-27-24(32)14-19-8-7-9-20(13-19)21-10-5-6-11-26-21/h5-11,13,16-17,22H,12,14-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,30)/t17?,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
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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>1.00E+3>-33.9n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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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>1.00E+3>-33.9n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM93178
PNG
(Cathepsin Inhibitor, Column 4 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C36H33N5O4/c1-24(33(42)23-39-34(43)21-26-11-7-12-27(19-26)30-14-5-6-17-37-30)40-36(45)32(20-25-9-3-2-4-10-25)41-35(44)29-15-16-31-28(22-29)13-8-18-38-31/h2-19,22,24,32H,20-21,23H2,1H3,(H,39,43)(H,40,45)(H,41,44)/t24?,32-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93177
PNG
(Cathepsin Inhibitor, Column 4 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C33H35N5O4/c1-21(2)16-29(38-32(41)26-12-13-28-25(19-26)10-7-15-35-28)33(42)37-22(3)30(39)20-36-31(40)18-23-8-6-9-24(17-23)27-11-4-5-14-34-27/h4-15,17,19,21-22,29H,16,18,20H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t22?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93176
PNG
(Cathepsin Inhibitor, Column 3 Row 3)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C31H36N4O6/c1-19(2)29(35-30(38)23-12-13-26(40-4)27(17-23)41-5)31(39)34-20(3)25(36)18-33-28(37)16-21-9-8-10-22(15-21)24-11-6-7-14-32-24/h6-15,17,19-20,29H,16,18H2,1-5H3,(H,33,37)(H,34,39)(H,35,38)/t20?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93175
PNG
(Cathepsin Inhibitor, Column 3 Row 2)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C35H36N4O6/c1-23(30(40)22-37-33(41)20-25-12-9-13-26(18-25)28-14-7-8-17-36-28)38-35(43)29(19-24-10-5-4-6-11-24)39-34(42)27-15-16-31(44-2)32(21-27)45-3/h4-18,21,23,29H,19-20,22H2,1-3H3,(H,37,41)(H,38,43)(H,39,42)/t23?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93174
PNG
(Cathepsin Inhibitor, Column 3 Row 1)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H38N4O6/c1-20(2)15-26(36-31(39)24-12-13-28(41-4)29(18-24)42-5)32(40)35-21(3)27(37)19-34-30(38)17-22-9-8-10-23(16-22)25-11-6-7-14-33-25/h6-14,16,18,20-21,26H,15,17,19H2,1-5H3,(H,34,38)(H,35,40)(H,36,39)/t21?,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93180
PNG
(Cathepsin Inhibitor, Column 5 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C33H35N5O4/c1-21(2)17-29(38-32(41)28-15-14-24-10-4-5-13-27(24)37-28)33(42)36-22(3)30(39)20-35-31(40)19-23-9-8-11-25(18-23)26-12-6-7-16-34-26/h4-16,18,21-22,29H,17,19-20H2,1-3H3,(H,35,40)(H,36,42)(H,38,41)/t22?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93181
PNG
(Cathepsin Inhibitor, Column 5 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C36H33N5O4/c1-24(33(42)23-38-34(43)22-26-12-9-14-28(20-26)29-15-7-8-19-37-29)39-36(45)32(21-25-10-3-2-4-11-25)41-35(44)31-18-17-27-13-5-6-16-30(27)40-31/h2-20,24,32H,21-23H2,1H3,(H,38,43)(H,39,45)(H,41,44)/t24?,32-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93182
PNG
(Cathepsin Inhibitor, Column 5 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H33N5O4/c1-20(2)30(37-31(40)27-15-14-23-10-4-5-13-26(23)36-27)32(41)35-21(3)28(38)19-34-29(39)18-22-9-8-11-24(17-22)25-12-6-7-16-33-25/h4-17,20-21,30H,18-19H2,1-3H3,(H,34,39)(H,35,41)(H,37,40)/t21?,30-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93183
PNG
(Cathepsin Inhibitor, Column 6 Row 1)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C32H34N4O4S/c1-20(2)15-26(36-32(40)29-18-24-10-4-5-13-28(24)41-29)31(39)35-21(3)27(37)19-34-30(38)17-22-9-8-11-23(16-22)25-12-6-7-14-33-25/h4-14,16,18,20-21,26H,15,17,19H2,1-3H3,(H,34,38)(H,35,39)(H,36,40)/t21?,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93184
PNG
(Cathepsin Inhibitor, Column 6 Row 2)
Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C35H32N4O4S/c1-23(30(40)22-37-33(41)20-25-12-9-14-26(18-25)28-15-7-8-17-36-28)38-34(42)29(19-24-10-3-2-4-11-24)39-35(43)32-21-27-13-5-6-16-31(27)44-32/h2-18,21,23,29H,19-20,22H2,1H3,(H,37,41)(H,38,42)(H,39,43)/t23?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM93185
PNG
(Cathepsin Inhibitor, Column 6 Row 3)
Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC(C)C(=O)CNC(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C31H32N4O4S/c1-19(2)29(35-30(38)27-17-23-10-4-5-13-26(23)40-27)31(39)34-20(3)25(36)18-33-28(37)16-21-9-8-11-22(15-21)24-12-6-7-14-32-24/h4-15,17,19-20,29H,16,18H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t20?,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/a5.5n/a



SmithKline Beecham Pharmaceuticals



Assay Description
Inhibitors were assayed against human liver Cathepsin L and B. Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin ...


J Comb Chem 1: 207-15


BindingDB Entry DOI: 10.7270/Q2HQ3XHJ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
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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2.60E+3 -31.6n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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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7.30E+3 -29.0n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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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7.80E+3 -28.9n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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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>1.00E+4>-28.3n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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+4>-28.3n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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+4>-28.3n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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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>1.00E+4>-28.3n/an/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19796
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)CNc1cccc(F)n1
Show InChI InChI=1S/C29H35F4N5O3/c1-5-6-8-22(23(39)17-34-26-10-7-9-25(30)36-26)35-27(40)41-24(28(2,3)4)18-38-16-15-21(37-38)19-11-13-20(14-12-19)29(31,32)33/h7,9-16,22,24H,5-6,8,17-18H2,1-4H3,(H,34,36)(H,35,40)/t22-,24+/m0/s1
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n/an/a 68n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19794
PNG
((2S)-1-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-3,3-...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H33Cl2N5O5S/c1-5-6-9-19(22(34)14-31-39(36,37)24-10-7-8-11-29-24)32-25(35)38-23(26(2,3)4)15-33-16-30-20-12-17(27)18(28)13-21(20)33/h7-8,10-13,16,19,23,31H,5-6,9,14-15H2,1-4H3,(H,32,35)/t19-,23+/m0/s1
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n/an/a 40n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19793
PNG
((2S)-1-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-3,3-...)
Show SMILES C[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C23H27Cl2N5O5S/c1-14(19(31)11-28-36(33,34)21-7-5-6-8-26-21)29-22(32)35-20(23(2,3)4)12-30-13-27-17-9-15(24)16(25)10-18(17)30/h5-10,13-14,20,28H,11-12H2,1-4H3,(H,29,32)/t14-,20+/m0/s1
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n/an/a 71n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19792
PNG
((2S)-3,3-dimethyl-1-[3-(pyridin-3-yl)-1H-pyrazol-1...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1cccnc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H36N6O5S/c1-5-6-11-22(23(34)18-30-39(36,37)25-12-7-8-15-29-25)31-26(35)38-24(27(2,3)4)19-33-16-13-21(32-33)20-10-9-14-28-17-20/h7-10,12-17,22,24,30H,5-6,11,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1
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n/an/a 79n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19791
PNG
((2S)-3,3-dimethyl-1-[3-(pyridin-4-yl)-1H-pyrazol-1...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H36N6O5S/c1-5-6-9-22(23(34)18-30-39(36,37)25-10-7-8-14-29-25)31-26(35)38-24(27(2,3)4)19-33-17-13-21(32-33)20-11-15-28-16-12-20/h7-8,10-17,22,24,30H,5-6,9,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1
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n/an/a 13n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19790
PNG
((2S)-3,3-dimethyl-1-{4-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-23(24(38)17-35-43(40,41)26-10-7-8-15-33-26)36-27(39)42-25(28(2,3)4)19-37-18-21(16-34-37)20-11-13-22(14-12-20)29(30,31)32/h7-8,10-16,18,23,25,35H,5-6,9,17,19H2,1-4H3,(H,36,39)/t23-,25+/m0/s1
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n/an/a 72n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19789
PNG
((2S)-3,3-dimethyl-1-{4-[4-(trifluoromethyl)phenyl]...)
Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-22(24(38)16-35-43(40,41)26-10-7-8-15-33-26)36-27(39)42-25(28(2,3)4)18-37-17-23(34-19-37)20-11-13-21(14-12-20)29(30,31)32/h7-8,10-15,17,19,22,25,35H,5-6,9,16,18H2,1-4H3,(H,36,39)/t22-,25+/m0/s1
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n/an/a 130n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19786
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)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-23(24(38)18-34-43(40,41)26-10-7-8-16-33-26)35-27(39)42-25(28(2,3)4)19-37-17-15-22(36-37)20-11-13-21(14-12-20)29(30,31)32/h7-8,10-17,23,25,34H,5-6,9,18-19H2,1-4H3,(H,35,39)/t23-,25+/m0/s1
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n/an/a 170n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19785
PNG
((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...)
Show SMILES C[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30F3N5O5S/c1-17(21(35)15-31-40(37,38)23-7-5-6-13-30-23)32-24(36)39-22(25(2,3)4)16-34-14-12-20(33-34)18-8-10-19(11-9-18)26(27,28)29/h5-14,17,22,31H,15-16H2,1-4H3,(H,32,36)/t17-,22+/m0/s1
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n/an/a 310n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
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 20n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM19782
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1
Show InChI InChI=1S/C24H28N4O6S/c1-15(2)12-18(28-24(31)21-13-17-8-4-5-9-20(17)34-21)23(30)27-16(3)19(29)14-26-35(32,33)22-10-6-7-11-25-22/h4-11,13,15-16,18,26H,12,14H2,1-3H3,(H,27,30)(H,28,31)/t16-,18-/m0/s1
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n/an/a 59n/an/an/an/a5.522



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 (B and K)


(Homo sapiens)
BDBM36812
PNG
(CA-074)
Show SMILES CCCNC1OC1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C17H29N3O5/c1-4-8-18-15-13(25-15)14(21)19-12(10(3)5-2)16(22)20-9-6-7-11(20)17(23)24/h10-13,15,18H,4-9H2,1-3H3,(H,19,21)(H,23,24)/t10?,11-,12+,13?,15?/m1/s1
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n/an/a 40n/an/an/an/a5.525



University of California, San Francisco



Assay Description
Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...


Chem Biol 7: 27-38 (2000)


Article DOI: 10.1124/jpet.104.078303
BindingDB Entry DOI: 10.7270/Q24B2ZN5
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM36813
PNG
(CA-074b)
Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCC(C)C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C18H31N3O5/c1-5-11(4)13(17(23)21-8-6-7-12(21)18(24)25)20-15(22)14-16(26-14)19-9-10(2)3/h10-14,16,19H,5-9H2,1-4H3,(H,20,22)(H,24,25)/t11?,12-,13+,14?,16?/m1/s1
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n/an/a 60n/an/an/an/a5.525



University of California, San Francisco



Assay Description
Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...


Chem Biol 7: 27-38 (2000)


Article DOI: 10.1124/jpet.104.078303
BindingDB Entry DOI: 10.7270/Q24B2ZN5
More data for this
Ligand-Target Pair
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