Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50039239 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50322349
((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31| Show InChI InChI=1S/C34H38N4O6/c1-43-30(40)12-7-13-35-29(39)20-38-28-11-6-5-10-26(28)31(25-8-3-2-4-9-25)36-27(32(38)41)21-44-33(42)37-34-17-22-14-23(18-34)16-24(15-22)19-34/h2-12,22-24,27H,13-21H2,1H3,(H,35,39)(H,37,42)/b12-7+/t22?,23?,24?,27-,34?/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322349
((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31| Show InChI InChI=1S/C34H38N4O6/c1-43-30(40)12-7-13-35-29(39)20-38-28-11-6-5-10-26(28)31(25-8-3-2-4-9-25)36-27(32(38)41)21-44-33(42)37-34-17-22-14-23(18-34)16-24(15-22)19-34/h2-12,22-24,27H,13-21H2,1H3,(H,35,39)(H,37,42)/b12-7+/t22?,23?,24?,27-,34?/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50257018
((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H26ClF3N4O6/c1-44-27(41)12-7-15-36-26(40)17-39-25-11-6-5-10-21(25)28(19-8-3-2-4-9-19)37-24(29(39)42)18-45-30(43)38-23-14-13-20(32)16-22(23)31(33,34)35/h2-14,16,24H,15,17-18H2,1H3,(H,36,40)(H,38,43)/b12-7+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50322342
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20| Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322342
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20| Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50322343
((R)-Methyl4-(2-(5-(4-bromophenyl)-3-((4-chloro-2-(...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19| Show InChI InChI=1S/C31H25BrClF3N4O6/c1-45-27(42)7-4-14-37-26(41)16-40-25-6-3-2-5-21(25)28(18-8-10-19(32)11-9-18)38-24(29(40)43)17-46-30(44)39-23-13-12-20(33)15-22(23)31(34,35)36/h2-13,15,24H,14,16-17H2,1H3,(H,37,41)(H,39,44)/b7-4+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50257018
((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H26ClF3N4O6/c1-44-27(41)12-7-15-36-26(40)17-39-25-11-6-5-10-21(25)28(19-8-3-2-4-9-19)37-24(29(39)42)18-45-30(43)38-23-14-13-20(32)16-22(23)31(33,34)35/h2-14,16,24H,15,17-18H2,1H3,(H,36,40)(H,38,43)/b12-7+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50322341
(CHEMBL1171803 | Methyl4-(2-((R)-3-((4-chloro-2-(tr...)Show SMILES COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23| Show InChI InChI=1S/C35H34ClF3N4O6/c1-21(2)17-24(14-16-31(45)48-3)40-30(44)19-43-29-12-8-7-11-25(29)32(22-9-5-4-6-10-22)41-28(33(43)46)20-49-34(47)42-27-15-13-23(36)18-26(27)35(37,38)39/h4-16,18,21,24,28H,17,19-20H2,1-3H3,(H,40,44)(H,42,47)/b16-14+/t24-,28-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50322346
((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322343
((R)-Methyl4-(2-(5-(4-bromophenyl)-3-((4-chloro-2-(...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19| Show InChI InChI=1S/C31H25BrClF3N4O6/c1-45-27(42)7-4-14-37-26(41)16-40-25-6-3-2-5-21(25)28(18-8-10-19(32)11-9-18)38-24(29(40)43)17-46-30(44)39-23-13-12-20(33)15-22(23)31(34,35)36/h2-13,15,24H,14,16-17H2,1H3,(H,37,41)(H,39,44)/b7-4+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322341
(CHEMBL1171803 | Methyl4-(2-((R)-3-((4-chloro-2-(tr...)Show SMILES COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23| Show InChI InChI=1S/C35H34ClF3N4O6/c1-21(2)17-24(14-16-31(45)48-3)40-30(44)19-43-29-12-8-7-11-25(29)32(22-9-5-4-6-10-22)41-28(33(43)46)20-49-34(47)42-27-15-13-23(36)18-26(27)35(37,38)39/h4-16,18,21,24,28H,17,19-20H2,1-3H3,(H,40,44)(H,42,47)/b16-14+/t24-,28-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322345
((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322347
((R)-Methyl4-(2-(3-((butylcarbamoyloxy)methyl)-2-ox...)Show SMILES CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C(=O)OC)C1=O |r,t:10| Show InChI InChI=1S/C28H32N4O6/c1-3-4-16-30-28(36)38-19-22-27(35)32(18-24(33)29-17-10-15-25(34)37-2)23-14-9-8-13-21(23)26(31-22)20-11-6-5-7-12-20/h5-15,22H,3-4,16-19H2,1-2H3,(H,29,33)(H,30,36)/b15-10+/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322346
((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50322345
((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/t25-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322342
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20| Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257018
((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H26ClF3N4O6/c1-44-27(41)12-7-15-36-26(40)17-39-25-11-6-5-10-21(25)28(19-8-3-2-4-9-19)37-24(29(39)42)18-45-30(43)38-23-14-13-20(32)16-22(23)31(33,34)35/h2-14,16,24H,15,17-18H2,1H3,(H,36,40)(H,38,43)/b12-7+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257018
((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H26ClF3N4O6/c1-44-27(41)12-7-15-36-26(40)17-39-25-11-6-5-10-21(25)28(19-8-3-2-4-9-19)37-24(29(39)42)18-45-30(43)38-23-14-13-20(32)16-22(23)31(33,34)35/h2-14,16,24H,15,17-18H2,1H3,(H,36,40)(H,38,43)/b12-7+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322344
((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19| Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322345
((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322346
((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322348
((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C30H34N4O6/c1-39-27(36)17-10-18-31-26(35)19-34-25-16-9-8-15-23(25)28(21-11-4-2-5-12-21)33-24(29(34)37)20-40-30(38)32-22-13-6-3-7-14-22/h2,4-5,8-12,15-17,22,24H,3,6-7,13-14,18-20H2,1H3,(H,31,35)(H,32,38)/b17-10+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322349
((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31| Show InChI InChI=1S/C34H38N4O6/c1-43-30(40)12-7-13-35-29(39)20-38-28-11-6-5-10-26(28)31(25-8-3-2-4-9-25)36-27(32(38)41)21-44-33(42)37-34-17-22-14-23(18-34)16-24(15-22)19-34/h2-12,22-24,27H,13-21H2,1H3,(H,35,39)(H,37,42)/b12-7+/t22?,23?,24?,27-,34?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322345
((R)-Methyl4-(2-(3-((4-methoxyphenylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(OC)cc2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H30N4O7/c1-40-23-16-14-22(15-17-23)33-31(39)42-20-25-30(38)35(19-27(36)32-18-8-13-28(37)41-2)26-12-7-6-11-24(26)29(34-25)21-9-4-3-5-10-21/h3-17,25H,18-20H2,1-2H3,(H,32,36)(H,33,39)/b13-8+/t25-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322347
((R)-Methyl4-(2-(3-((butylcarbamoyloxy)methyl)-2-ox...)Show SMILES CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C(=O)OC)C1=O |r,t:10| Show InChI InChI=1S/C28H32N4O6/c1-3-4-16-30-28(36)38-19-22-27(35)32(18-24(33)29-17-10-15-25(34)37-2)23-14-9-8-13-21(23)26(31-22)20-11-6-5-7-12-20/h5-15,22H,3-4,16-19H2,1-2H3,(H,29,33)(H,30,36)/b15-10+/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322346
((R)-Methyl4-(2-(3-((naphthalen-1-ylcarbamoyloxy)me...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2cccc3ccccc23)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C34H30N4O6/c1-43-31(40)19-10-20-35-30(39)21-38-29-18-8-7-16-26(29)32(24-12-3-2-4-13-24)36-28(33(38)41)22-44-34(42)37-27-17-9-14-23-11-5-6-15-25(23)27/h2-19,28H,20-22H2,1H3,(H,35,39)(H,37,42)/b19-10+/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322342
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20| Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322341
(CHEMBL1171803 | Methyl4-(2-((R)-3-((4-chloro-2-(tr...)Show SMILES COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23| Show InChI InChI=1S/C35H34ClF3N4O6/c1-21(2)17-24(14-16-31(45)48-3)40-30(44)19-43-29-12-8-7-11-25(29)32(22-9-5-4-6-10-22)41-28(33(43)46)20-49-34(47)42-27-15-13-23(36)18-26(27)35(37,38)39/h4-16,18,21,24,28H,17,19-20H2,1-3H3,(H,40,44)(H,42,47)/b16-14+/t24-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322344
((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19| Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322349
((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31| Show InChI InChI=1S/C34H38N4O6/c1-43-30(40)12-7-13-35-29(39)20-38-28-11-6-5-10-26(28)31(25-8-3-2-4-9-25)36-27(32(38)41)21-44-33(42)37-34-17-22-14-23(18-34)16-24(15-22)19-34/h2-12,22-24,27H,13-21H2,1H3,(H,35,39)(H,37,42)/b12-7+/t22?,23?,24?,27-,34?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322348
((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C30H34N4O6/c1-39-27(36)17-10-18-31-26(35)19-34-25-16-9-8-15-23(25)28(21-11-4-2-5-12-21)33-24(29(34)37)20-40-30(38)32-22-13-6-3-7-14-22/h2,4-5,8-12,15-17,22,24H,3,6-7,13-14,18-20H2,1H3,(H,31,35)(H,32,38)/b17-10+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322348
((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C30H34N4O6/c1-39-27(36)17-10-18-31-26(35)19-34-25-16-9-8-15-23(25)28(21-11-4-2-5-12-21)33-24(29(34)37)20-40-30(38)32-22-13-6-3-7-14-22/h2,4-5,8-12,15-17,22,24H,3,6-7,13-14,18-20H2,1H3,(H,31,35)(H,32,38)/b17-10+/t24-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322344
((R)-Methyl4-(2-(3-((4-chloro-2-(trifluoromethyl)ph...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(OC)cc1 |r,c:19| Show InChI InChI=1S/C32H28ClF3N4O7/c1-45-21-12-9-19(10-13-21)29-22-6-3-4-7-26(22)40(17-27(41)37-15-5-8-28(42)46-2)30(43)25(38-29)18-47-31(44)39-24-14-11-20(33)16-23(24)32(34,35)36/h3-14,16,25H,15,17-18H2,1-2H3,(H,37,41)(H,39,44)/b8-5+/t25-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Falcipain 2
(Plasmodium falciparum) | BDBM50322347
((R)-Methyl4-(2-(3-((butylcarbamoyloxy)methyl)-2-ox...)Show SMILES CCCCNC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C(=O)OC)C1=O |r,t:10| Show InChI InChI=1S/C28H32N4O6/c1-3-4-16-30-28(36)38-19-22-27(35)32(18-24(33)29-17-10-15-25(34)37-2)23-14-9-8-13-21(23)26(31-22)20-11-6-5-7-12-20/h5-15,22H,3-4,16-19H2,1-2H3,(H,29,33)(H,30,36)/b15-10+/t22-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322343
((R)-Methyl4-(2-(5-(4-bromophenyl)-3-((4-chloro-2-(...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19| Show InChI InChI=1S/C31H25BrClF3N4O6/c1-45-27(42)7-4-14-37-26(41)16-40-25-6-3-2-5-21(25)28(18-8-10-19(32)11-9-18)38-24(29(40)43)17-46-30(44)39-23-13-12-20(33)15-22(23)31(34,35)36/h2-13,15,24H,14,16-17H2,1H3,(H,37,41)(H,39,44)/b7-4+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50322341
(CHEMBL1171803 | Methyl4-(2-((R)-3-((4-chloro-2-(tr...)Show SMILES COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23| Show InChI InChI=1S/C35H34ClF3N4O6/c1-21(2)17-24(14-16-31(45)48-3)40-30(44)19-43-29-12-8-7-11-25(29)32(22-9-5-4-6-10-22)41-28(33(43)46)20-49-34(47)42-27-15-13-23(36)18-26(27)35(37,38)39/h4-16,18,21,24,28H,17,19-20H2,1-3H3,(H,40,44)(H,42,47)/b16-14+/t24-,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50322343
((R)-Methyl4-(2-(5-(4-bromophenyl)-3-((4-chloro-2-(...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccc(Br)cc1 |r,c:19| Show InChI InChI=1S/C31H25BrClF3N4O6/c1-45-27(42)7-4-14-37-26(41)16-40-25-6-3-2-5-21(25)28(18-8-10-19(32)11-9-18)38-24(29(40)43)17-46-30(44)39-23-13-12-20(33)15-22(23)31(34,35)36/h2-13,15,24H,14,16-17H2,1H3,(H,37,41)(H,39,44)/b7-4+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
Bioorg Med Chem 18: 4928-38 (2010)
Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R |
More data for this
Ligand-Target Pair | |
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