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Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with Target = 'Cathepsin B' AND taxid = 9913   
Target
(Institution)
LigandTarget
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


(Bos taurus (bovine))
BDBM50053847
PNG
((1-{1-[2-(1H-Indol-3-yl)-ethylaminooxalyl]-propylc...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H36N4O5/c1-4-23(26(34)28(36)30-15-14-21-17-31-24-13-9-8-12-22(21)24)32-27(35)25(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-13,17,19,23,25,31H,4,14-16,18H2,1-3H3,(H,30,36)(H,32,35)(H,33,37)
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0.0310n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053798
PNG
(CHEMBL421910 | {1-[1-(2-Hydroxy-2-naphthalen-2-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.0630n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053833
PNG
(CHEMBL132987 | {1-[1-(2-Hydroxy-2-naphthalen-1-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-16-10-14-22-13-8-9-15-23(22)24)33-29(37)26(17-20(2)3)34-31(39)40-19-21-11-6-5-7-12-21/h5-16,20,25-27,35H,4,17-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.0630n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053820
PNG
((1-{1-[2-(4-Dimethylamino-phenyl)-2-hydroxy-ethyla...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H40N4O6/c1-6-23(26(35)28(37)30-17-25(34)21-12-14-22(15-13-21)33(4)5)31-27(36)24(16-19(2)3)32-29(38)39-18-20-10-8-7-9-11-20/h7-15,19,23-25,34H,6,16-18H2,1-5H3,(H,30,37)(H,31,36)(H,32,38)
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0.0720n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053851
PNG
((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-2H-quinoli...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12
Show InChI InChI=1S/C31H44N4O5/c1-4-25(28(36)30(38)32-17-11-19-35-18-10-15-24-14-8-9-16-27(24)35)33-29(37)26(20-22(2)3)34-31(39)40-21-23-12-6-5-7-13-23/h5-9,12-14,16,22,24-27H,4,10-11,15,17-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.0940n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053866
PNG
(CHEMBL131707 | Quinoline-2-carboxylic acid [1-(1-e...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C23H30N4O4/c1-5-16(20(28)23(31)24-6-2)26-22(30)19(13-14(3)4)27-21(29)18-12-11-15-9-7-8-10-17(15)25-18/h7-12,14,16,19H,5-6,13H2,1-4H3,(H,24,31)(H,26,30)(H,27,29)
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0.0960n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053860
PNG
(CHEMBL131639 | [1-(1-{2-[3-(3,4-Dichloro-phenoxy)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C33H37Cl2N3O7/c1-4-27(37-31(41)28(15-20(2)3)38-33(43)44-19-21-9-6-5-7-10-21)30(40)32(42)36-18-29(39)22-11-8-12-23(16-22)45-24-13-14-25(34)26(35)17-24/h5-14,16-17,20,27-29,39H,4,15,18-19H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)
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0.100n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053818
PNG
((1-{1-[2-Hydroxy-2-(3-trifluoromethyl-phenyl)-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3O6/c1-4-21(24(36)26(38)32-15-23(35)19-11-8-12-20(14-19)28(29,30)31)33-25(37)22(13-17(2)3)34-27(39)40-16-18-9-6-5-7-10-18/h5-12,14,17,21-23,35H,4,13,15-16H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053808
PNG
(CHEMBL130345 | {1-[1-(2,2-Diethoxy-ethylaminooxaly...)
Show SMILES CCOC(CNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)OCC
Show InChI InChI=1S/C25H39N3O7/c1-6-19(22(29)24(31)26-15-21(33-7-2)34-8-3)27-23(30)20(14-17(4)5)28-25(32)35-16-18-12-10-9-11-13-18/h9-13,17,19-21H,6-8,14-16H2,1-5H3,(H,26,31)(H,27,30)(H,28,32)
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0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053824
PNG
((1-{1-[2-(4-Benzyloxy-phenyl)-2-hydroxy-ethylamino...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H41N3O7/c1-4-28(36-32(40)29(19-23(2)3)37-34(42)44-22-25-13-9-6-10-14-25)31(39)33(41)35-20-30(38)26-15-17-27(18-16-26)43-21-24-11-7-5-8-12-24/h5-18,23,28-30,38H,4,19-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)
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0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053830
PNG
((1-{1-[2-Hydroxy-2-(4-methoxy-phenyl)-ethylaminoox...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H37N3O7/c1-5-22(25(33)27(35)29-16-24(32)20-11-13-21(37-4)14-12-20)30-26(34)23(15-18(2)3)31-28(36)38-17-19-9-7-6-8-10-19/h6-14,18,22-24,32H,5,15-17H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)
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0.120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053845
PNG
((1-{1-[2-Hydroxy-2-(3-phenoxy-phenyl)-ethylaminoox...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(18-22(2)3)36-33(41)42-21-23-12-7-5-8-13-23)30(38)32(40)34-20-29(37)24-14-11-17-26(19-24)43-25-15-9-6-10-16-25/h5-17,19,22,27-29,37H,4,18,20-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)
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0.120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053834
PNG
(CHEMBL413308 | [1-(1-Benzyl-2-{2-hydroxy-2-[3-(3-t...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C39H40F3N3O7/c1-25(2)19-33(45-38(50)51-24-27-13-7-4-8-14-27)36(48)44-32(20-26-11-5-3-6-12-26)35(47)37(49)43-23-34(46)28-15-9-17-30(21-28)52-31-18-10-16-29(22-31)39(40,41)42/h3-18,21-22,25,32-34,46H,19-20,23-24H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)
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0.120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053800
PNG
((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12
Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)
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0.140n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053826
PNG
((1-{1-Benzyl-2-[2-hydroxy-2-(3-trifluoromethyl-phe...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C33H36F3N3O6/c1-21(2)16-27(39-32(44)45-20-23-12-7-4-8-13-23)30(42)38-26(17-22-10-5-3-6-11-22)29(41)31(43)37-19-28(40)24-14-9-15-25(18-24)33(34,35)36/h3-15,18,21,26-28,40H,16-17,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)
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0.140n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053806
PNG
(CHEMBL129831 | {1-[1-(2-Hydroxy-2-pentafluoropheny...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C27H30F5N3O6/c1-4-15(24(37)26(39)33-11-17(36)18-19(28)21(30)23(32)22(31)20(18)29)34-25(38)16(10-13(2)3)35-27(40)41-12-14-8-6-5-7-9-14/h5-9,13,15-17,36H,4,10-12H2,1-3H3,(H,33,39)(H,34,38)(H,35,40)
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0.150n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053861
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-4-26(30(38)33(41)34-21-28(37)23-14-8-5-9-15-23)35-31(39)27(20-22(2)3)36-32(40)29(24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26-29,37H,4,20-21H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)
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0.170n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053844
PNG
(CHEMBL334744 | {1-[1-(2,2-Dimethoxy-ethylaminooxal...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(OC)OC
Show InChI InChI=1S/C23H35N3O7/c1-6-17(20(27)22(29)24-13-19(31-4)32-5)25-21(28)18(12-15(2)3)26-23(30)33-14-16-10-8-7-9-11-16/h7-11,15,17-19H,6,12-14H2,1-5H3,(H,24,29)(H,25,28)(H,26,30)
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0.190n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053839
PNG
(CHEMBL339174 | {1-[1-Benzyl-2-(2-hydroxy-2-pentafl...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C32H32F5N3O6/c1-17(2)13-21(40-32(45)46-16-19-11-7-4-8-12-19)30(43)39-20(14-18-9-5-3-6-10-18)29(42)31(44)38-15-22(41)23-24(33)26(35)28(37)27(36)25(23)34/h3-12,17,20-22,41H,13-16H2,1-2H3,(H,38,44)(H,39,43)(H,40,45)
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0.210n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053857
PNG
((1-{1-[2-Hydroxy-2-(4-phenoxy-phenyl)-ethylaminoox...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(19-22(2)3)36-33(41)42-21-23-11-7-5-8-12-23)30(38)32(40)34-20-29(37)24-15-17-26(18-16-24)43-25-13-9-6-10-14-25/h5-18,22,27-29,37H,4,19-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)
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0.210n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053835
PNG
((1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C30H41N3O9/c1-7-21(32-28(36)22(13-18(2)3)33-30(38)42-17-19-11-9-8-10-12-19)26(35)29(37)31-16-23(34)20-14-24(39-4)27(41-6)25(15-20)40-5/h8-12,14-15,18,21-23,34H,7,13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,38)
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0.220n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053831
PNG
(3-[4-Methyl-2-(3-phenyl-propionylamino)-pentanoyla...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C22H33N3O4/c1-5-17(20(27)22(29)23-6-2)25-21(28)18(14-15(3)4)24-19(26)13-12-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3,(H,23,29)(H,24,26)(H,25,28)
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0.220n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053823
PNG
(CHEMBL130580 | Isoquinoline-1-carboxylic acid [1-(...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1nccc2ccccc12
Show InChI InChI=1S/C23H30N4O4/c1-5-17(20(28)23(31)24-6-2)26-21(29)18(13-14(3)4)27-22(30)19-16-10-8-7-9-15(16)11-12-25-19/h7-12,14,17-18H,5-6,13H2,1-4H3,(H,24,31)(H,26,29)(H,27,30)
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0.220n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053791
PNG
(CHEMBL132566 | [1-(1-Benzyl-2-oxo-2-{2-[5-((3aR,6S...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C36H48N6O7S/c1-23(2)19-27(41-36(48)49-21-25-13-7-4-8-14-25)33(45)39-26(20-24-11-5-3-6-12-24)32(44)34(46)38-18-17-37-30(43)16-10-9-15-29-31-28(22-50-29)40-35(47)42-31/h3-8,11-14,23,26-29,31H,9-10,15-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,41,48)(H2,40,42,47)/t26?,27?,28-,29-,31-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053841
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C38H41N3O5/c1-26(2)23-32(41-37(45)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30)36(44)40-31(24-27-15-7-3-8-16-27)35(43)38(46)39-25-33(42)28-17-9-4-10-18-28/h3-22,26,31-34,42H,23-25H2,1-2H3,(H,39,46)(H,40,44)(H,41,45)
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0.240n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053799
PNG
(CHEMBL134092 | [1-(1-{2-Hydroxy-2-[3-(3-trifluorom...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H38F3N3O7/c1-4-27(39-31(43)28(16-21(2)3)40-33(45)46-20-22-10-6-5-7-11-22)30(42)32(44)38-19-29(41)23-12-8-14-25(17-23)47-26-15-9-13-24(18-26)34(35,36)37/h5-15,17-18,21,27-29,41H,4,16,19-20H2,1-3H3,(H,38,44)(H,39,43)(H,40,45)
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0.300n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053819
PNG
((1-{1-Benzyl-2-[2-(4-dimethylamino-phenyl)-2-hydro...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C34H42N4O6/c1-23(2)19-29(37-34(43)44-22-25-13-9-6-10-14-25)32(41)36-28(20-24-11-7-5-8-12-24)31(40)33(42)35-21-30(39)26-15-17-27(18-16-26)38(3)4/h5-18,23,28-30,39H,19-22H2,1-4H3,(H,35,42)(H,36,41)(H,37,43)
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0.310n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053825
PNG
((1-{1-[2-(3,4-Bis-benzyloxy-phenyl)-2-hydroxy-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C41H47N3O8/c1-4-33(43-39(47)34(22-28(2)3)44-41(49)52-27-31-18-12-7-13-19-31)38(46)40(48)42-24-35(45)32-20-21-36(50-25-29-14-8-5-9-15-29)37(23-32)51-26-30-16-10-6-11-17-30/h5-21,23,28,33-35,45H,4,22,24-27H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)
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0.320n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053814
PNG
(CHEMBL131866 | [3-Methyl-1-(1-methylaminooxalyl-pr...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC
Show InChI InChI=1S/C20H29N3O5/c1-5-15(17(24)19(26)21-4)22-18(25)16(11-13(2)3)23-20(27)28-12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)
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0.330n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053848
PNG
(CHEMBL337462 | Pyrazine-2-carboxylic acid [1-(1-et...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cnccn1
Show InChI InChI=1S/C18H27N5O4/c1-5-12(15(24)18(27)20-6-2)22-16(25)13(9-11(3)4)23-17(26)14-10-19-7-8-21-14/h7-8,10-13H,5-6,9H2,1-4H3,(H,20,27)(H,22,25)(H,23,26)
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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053805
PNG
((1-{1-Benzyl-2-[2-(4-benzyloxy-phenyl)-2-hydroxy-e...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C39H43N3O7/c1-27(2)22-34(42-39(47)49-26-30-16-10-5-11-17-30)37(45)41-33(23-28-12-6-3-7-13-28)36(44)38(46)40-24-35(43)31-18-20-32(21-19-31)48-25-29-14-8-4-9-15-29/h3-21,27,33-35,43H,22-26H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)
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0.380n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053802
PNG
(CHEMBL133970 | {3-Methyl-1-[1-(quinolin-2-ylmethyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C29H34N4O5/c1-4-23(26(34)28(36)30-17-22-15-14-21-12-8-9-13-24(21)31-22)32-27(35)25(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-15,19,23,25H,4,16-18H2,1-3H3,(H,30,36)(H,32,35)(H,33,37)
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0.450n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)
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0.550n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053867
PNG
(CHEMBL133749 | [1-(1-Benzyl-2-methylcarbamoyl-2-ox...)
Show SMILES CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O5/c1-17(2)14-21(28-25(32)33-16-19-12-8-5-9-13-19)23(30)27-20(22(29)24(31)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)
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0.570n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053862
PNG
((1-{1-Benzyl-2-[2-hydroxy-2-(3-phenoxy-phenyl)-eth...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C38H41N3O7/c1-26(2)21-33(41-38(46)47-25-28-15-8-4-9-16-28)36(44)40-32(22-27-13-6-3-7-14-27)35(43)37(45)39-24-34(42)29-17-12-20-31(23-29)48-30-18-10-5-11-19-30/h3-20,23,26,32-34,42H,21-22,24-25H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)
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0.640n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053852
PNG
(CHEMBL133707 | [1-(1-Benzyl-2-{2-[3-(3,4-dichloro-...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C38H39Cl2N3O7/c1-24(2)18-33(43-38(48)49-23-26-12-7-4-8-13-26)36(46)42-32(19-25-10-5-3-6-11-25)35(45)37(47)41-22-34(44)27-14-9-15-28(20-27)50-29-16-17-30(39)31(40)21-29/h3-17,20-21,24,32-34,44H,18-19,22-23H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)
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0.640n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053792
PNG
(CHEMBL273817 | [3-Methyl-1-(1-{2-[5-((3aR,6S,6aS)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C31H46N6O7S/c1-4-21(34-28(40)22(16-19(2)3)36-31(43)44-17-20-10-6-5-7-11-20)27(39)29(41)33-15-14-32-25(38)13-9-8-12-24-26-23(18-45-24)35-30(42)37-26/h5-7,10-11,19,21-24,26H,4,8-9,12-18H2,1-3H3,(H,32,38)(H,33,41)(H,34,40)(H,36,43)(H2,35,37,42)/t21?,22?,23-,24-,26-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053810
PNG
(CHEMBL130722 | N-[1-(1-Ethylaminooxalyl-propylcarb...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1cccnc1
Show InChI InChI=1S/C19H28N4O4/c1-5-14(16(24)19(27)21-6-2)22-18(26)15(10-12(3)4)23-17(25)13-8-7-9-20-11-13/h7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,27)(H,22,26)(H,23,25)
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0.880n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053812
PNG
(CHEMBL131257 | Furan-2-carboxylic acid [1-(1-ethyl...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccco1
Show InChI InChI=1S/C18H27N3O5/c1-5-12(15(22)18(25)19-6-2)20-16(23)13(10-11(3)4)21-17(24)14-8-7-9-26-14/h7-9,11-13H,5-6,10H2,1-4H3,(H,19,25)(H,20,23)(H,21,24)
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1.20n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053807
PNG
(CHEMBL337608 | {3-Methyl-1-[1-(1,3,7-trimethyl-2,6...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nc2n(C)c(=O)n(C)c(=O)c2n1C
Show InChI InChI=1S/C28H37N7O7/c1-7-18(30-24(37)19(13-16(2)3)31-27(40)42-15-17-11-9-8-10-12-17)22(36)25(38)29-14-20-32-23-21(33(20)4)26(39)35(6)28(41)34(23)5/h8-12,16,18-19H,7,13-15H2,1-6H3,(H,29,38)(H,30,37)(H,31,40)
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1.70n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053801
PNG
((1-{1-Benzyl-2-[2-hydroxy-2-(4-phenoxy-phenyl)-eth...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C38H41N3O7/c1-26(2)22-33(41-38(46)47-25-28-14-8-4-9-15-28)36(44)40-32(23-27-12-6-3-7-13-27)35(43)37(45)39-24-34(42)29-18-20-31(21-19-29)48-30-16-10-5-11-17-30/h3-21,26,32-34,42H,22-25H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)
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2.10n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053869
PNG
(CHEMBL133243 | {1-[1-(2-Hydroxy-2-phenyl-ethylamin...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C28H37N3O6/c1-4-11-22(25(33)27(35)29-17-24(32)21-14-9-6-10-15-21)30-26(34)23(16-19(2)3)31-28(36)37-18-20-12-7-5-8-13-20/h5-10,12-15,19,22-24,32H,4,11,16-18H2,1-3H3,(H,29,35)(H,30,34)(H,31,36)
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3.40n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053811
PNG
(CHEMBL338957 | Morpholine-4-carboxylic acid [1-(1-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)N1CCOCC1
Show InChI InChI=1S/C18H32N4O5/c1-5-13(15(23)17(25)19-6-2)20-16(24)14(11-12(3)4)21-18(26)22-7-9-27-10-8-22/h12-14H,5-11H2,1-4H3,(H,19,25)(H,20,24)(H,21,26)
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4.30n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50042428
PNG
(CHEMBL116863 | [3-Methyl-1-(1-propylaminooxalyl-pr...)
Show SMILES CCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H33N3O5/c1-5-12-23-21(28)19(26)17(6-2)24-20(27)18(13-15(3)4)25-22(29)30-14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)
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8n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053836
PNG
((1-{1-Benzyl-2-[2-(3,4-bis-benzyloxy-phenyl)-2-hyd...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C46H49N3O8/c1-32(2)25-39(49-46(54)57-31-36-21-13-6-14-22-36)44(52)48-38(26-33-15-7-3-8-16-33)43(51)45(53)47-28-40(50)37-23-24-41(55-29-34-17-9-4-10-18-34)42(27-37)56-30-35-19-11-5-12-20-35/h3-24,27,32,38-40,50H,25-26,28-31H2,1-2H3,(H,47,53)(H,48,52)(H,49,54)
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20n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50090645
PNG
((S)-2-Benzyl-N-[(S)-4-guanidino-1-(2-oxo-acetyl)-b...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)C=O
Show InChI InChI=1S/C24H28N4O5/c25-24(26)27-13-7-12-20(21(30)15-29)28-22(31)19(14-17-8-3-1-4-9-17)23(32)33-16-18-10-5-2-6-11-18/h1-6,8-11,15,19-20H,7,12-14,16H2,(H,28,31)(H4,25,26,27)/t19-,20-/m0/s1
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40n/an/an/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Ability to block cathepsin B-catalyzed hydrolysis of the fluorogenic substrate Z-Arg-Arg-NHMec


Bioorg Med Chem Lett 10: 1771-3 (2000)

More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50080206
PNG
(CHEMBL311735 | [1-((4S,5R)-4-Benzyl-5-hydroxy-oxaz...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CO[C@@H](O)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C23H28N2O5/c1-16(2)20(24-23(28)29-14-18-11-7-4-8-12-18)21(26)25-15-30-22(27)19(25)13-17-9-5-3-6-10-17/h3-12,16,19-20,22,27H,13-15H2,1-2H3,(H,24,28)/t19-,20?,22+/m0/s1
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120n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine cathepsin B.


Bioorg Med Chem Lett 9: 2365-70 (1999)

More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50042414
PNG
(CHEMBL119622 | {3-Methyl-1-[1-(3-phenyl-propylamin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-4-23(25(32)27(34)29-17-11-16-21-12-7-5-8-13-21)30-26(33)24(18-20(2)3)31-28(35)36-19-22-14-9-6-10-15-22/h5-10,12-15,20,23-24H,4,11,16-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,35)
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200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of alpha-keto esters towards cathepsin B at pH 5.2


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50090644
PNG
(CHEMBL48837 | {(S)-1-[(S)-1-(4-Butoxy-benzyl)-2,3-...)
Show SMILES CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1
Show InChI InChI=1S/C31H34N2O6/c1-2-3-18-38-26-16-14-24(15-17-26)19-27(29(35)21-34)32-30(36)28(20-23-10-6-4-7-11-23)33-31(37)39-22-25-12-8-5-9-13-25/h4-17,21,27-28H,2-3,18-20,22H2,1H3,(H,32,36)(H,33,37)/t27-,28-/m0/s1
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214n/an/an/an/an/an/an/an/a



Queen's University Belfast

Curated by ChEMBL


Assay Description
Ability to block cathepsin B-catalyzed hydrolysis of the fluorogenic substrate Z-Arg-Arg-NHMec


Bioorg Med Chem Lett 10: 1771-3 (2000)

More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50042435
PNG
(3-(2-Isobutoxycarbonylamino-4-methyl-pentanoylamin...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCC(C)C
Show InChI InChI=1S/C18H32N2O6/c1-7-13(15(21)17(23)25-8-2)19-16(22)14(9-11(3)4)20-18(24)26-10-12(5)6/h11-14H,7-10H2,1-6H3,(H,19,22)(H,20,24)
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400n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of alpha-keto esters towards cathepsin B at pH 5.2


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
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