Compile Data Set for Download or QSAR
Found 76 Enz. Inhib. hit(s) with all data for entry = 50039354
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335280(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
Affinity DataKi:  0.0110nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335281(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/s1
Affinity DataKi:  0.0170nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335285(CHEMBL1651350 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H25N7O3S/c1-14(2)12-17(21(30)29(4)28(3)13-23)25-22(31)24-16-9-7-15(8-10-16)19-26-20(32-27-19)18-6-5-11-33-18/h5-11,14,17H,12H2,1-4H3,(H2,24,25,31)/t17-/m0/s1
Affinity DataKi:  0.0220nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335289(CHEMBL1651361 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
Affinity DataKi:  0.0320nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335284(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
Affinity DataKi:  0.0450nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335281(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/s1
Affinity DataKi:  0.0450nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304794((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
Affinity DataKi:  0.0640nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335278(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.0710nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335283(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/s1
Affinity DataKi:  0.0720nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335282(CHEMBL1651356 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C20H27N7O3/c1-13(2)10-17(19(28)27(5)26(4)12-21)24-20(29)22-11-15-6-8-16(9-7-15)18-23-14(3)30-25-18/h6-9,13,17H,10-11H2,1-5H3,(H2,22,24,29)/t17-/m0/s1
Affinity DataKi:  0.110nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304793((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.140nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335289(CHEMBL1651361 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304793((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.160nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335283(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/s1
Affinity DataKi:  0.160nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335281(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/s1
Affinity DataKi:  0.160nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335279(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
Affinity DataKi:  0.160nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335282(CHEMBL1651356 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C20H27N7O3/c1-13(2)10-17(19(28)27(5)26(4)12-21)24-20(29)22-11-15-6-8-16(9-7-15)18-23-14(3)30-25-18/h6-9,13,17H,10-11H2,1-5H3,(H2,22,24,29)/t17-/m0/s1
Affinity DataKi:  0.170nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335284(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
Affinity DataKi:  0.190nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335280(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335278(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335289(CHEMBL1651361 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
Affinity DataKi:  0.220nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335285(CHEMBL1651350 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H25N7O3S/c1-14(2)12-17(21(30)29(4)28(3)13-23)25-22(31)24-16-9-7-15(8-10-16)19-26-20(32-27-19)18-6-5-11-33-18/h5-11,14,17H,12H2,1-4H3,(H2,24,25,31)/t17-/m0/s1
Affinity DataKi:  0.320nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304794((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
Affinity DataKi:  0.330nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335289(CHEMBL1651361 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H24N6O3S/c1-14(2)12-17(22(30)28(4)27(3)13-23)24-20(29)16-9-7-15(8-10-16)19-25-21(31-26-19)18-6-5-11-32-18/h5-11,14,17H,12H2,1-4H3,(H,24,29)/t17-/m0/s1
Affinity DataKi:  0.360nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335279(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
Affinity DataKi:  0.360nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335279(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
Affinity DataKi:  0.380nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335280(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
Affinity DataKi:  0.390nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335278(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.400nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304794((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
Affinity DataKi:  0.430nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335277(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
Affinity DataKi:  0.460nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335278(CHEMBL1651352 | N-(Benzyloxycarbonyl)-cyclohexylal...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H28N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h4,7-8,11-12,16,18H,3,5-6,9-10,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.480nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304793((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.510nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335290(CHEMBL1651362 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](N(C)C(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H26N6O3S/c1-15(2)13-18(23(31)29(5)27(3)14-24)28(4)22(30)17-10-8-16(9-11-17)20-25-21(32-26-20)19-7-6-12-33-19/h6-12,15,18H,13H2,1-5H3/t18-/m0/s1
Affinity DataKi:  0.630nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335280(CHEMBL1651354 | N-(Benzylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H25N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H2,19,20,24)/t15-/m0/s1
Affinity DataKi:  0.650nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304793((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1
Affinity DataKi:  0.680nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335277(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
Affinity DataKi:  0.830nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335279(CHEMBL1651353 | N-(Benzyloxycarbonyl)-tyrosyl-meth...)
Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H22N4O4/c1-23(14-21)24(2)19(26)18(12-15-8-10-17(25)11-9-15)22-20(27)28-13-16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3,(H,22,27)/t18-/m0/s1
Affinity DataKi:  0.860nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin K(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335276(CHEMBL1651242 | N-(Benzyloxycarbonyl)-valyl-methyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-12(2)14(15(21)20(4)19(3)11-17)18-16(22)23-10-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H,18,22)/t14-/m0/s1
Affinity DataKi:  0.870nMAssay Description:Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335277(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
Affinity DataKi:  0.880nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50304794((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-13(2)10-15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,23)/t15-/m0/s1
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335283(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335281(CHEMBL1651355 | N-(Phenylcarbamoyl)-leucyl-methyla...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H23N5O2/c1-12(2)10-14(15(22)21(4)20(3)11-17)19-16(23)18-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H2,18,19,23)/t14-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335283(CHEMBL1651357 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C23H27N7O3S/c1-15(2)12-18(22(31)30(4)29(3)14-24)26-23(32)25-13-16-7-9-17(10-8-16)20-27-21(33-28-20)19-6-5-11-34-19/h5-11,15,18H,12-13H2,1-4H3,(H2,25,26,32)/t18-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335282(CHEMBL1651356 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C20H27N7O3/c1-13(2)10-17(19(28)27(5)26(4)12-21)24-20(29)22-11-15-6-8-16(9-7-15)18-23-14(3)30-25-18/h6-9,13,17H,10-11H2,1-5H3,(H2,22,24,29)/t17-/m0/s1
Affinity DataKi:  1.40nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335276(CHEMBL1651242 | N-(Benzyloxycarbonyl)-valyl-methyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-12(2)14(15(21)20(4)19(3)11-17)18-16(22)23-10-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H,18,22)/t14-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin S(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335276(CHEMBL1651242 | N-(Benzyloxycarbonyl)-valyl-methyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C16H22N4O3/c1-12(2)14(15(21)20(4)19(3)11-17)18-16(22)23-10-13-8-6-5-7-9-13/h5-9,12,14H,10H2,1-4H3,(H,18,22)/t14-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Inhibition of human cathepsin S after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335284(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
Affinity DataKi:  2nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335285(CHEMBL1651350 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C22H25N7O3S/c1-14(2)12-17(21(30)29(4)28(3)13-23)25-22(31)24-16-9-7-15(8-10-16)19-26-20(32-27-19)18-6-5-11-33-18/h5-11,14,17H,12H2,1-4H3,(H2,24,25,31)/t17-/m0/s1
Affinity DataKi:  2.40nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetCathepsin B(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335284(CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-y...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C19H25N7O3/c1-12(2)10-16(18(27)26(5)25(4)11-20)23-19(28)22-15-8-6-14(7-9-15)17-21-13(3)29-24-17/h6-9,12,16H,10H2,1-5H3,(H2,22,23,28)/t16-/m0/s1
Affinity DataKi:  2.40nMAssay Description:Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProcathepsin L(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50335277(CHEMBL1651351 | N-(Benzyloxycarbonyl)-isoleucyl-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N
Show InChI InChI=1S/C17H24N4O3/c1-5-13(2)15(16(22)21(4)20(3)12-18)19-17(23)24-11-14-9-7-6-8-10-14/h6-10,13,15H,5,11H2,1-4H3,(H,19,23)/t13-,15-/m0/s1
Affinity DataKi:  2.60nMAssay Description:Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
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