Found 41 hits with Last Name = 'dirdjaja' and Initial = 'n' 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 |
|---|
Cruzipain
(Trypanosoma cruzi) | BDBM50201259
(CHEMBL3907022)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201259
(CHEMBL3907022)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201212
(CHEMBL3974129)Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201213
(CHEMBL3934979)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201259
(CHEMBL3907022)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201259
(CHEMBL3907022)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201212
(CHEMBL3974129)Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201211
(CHEMBL3930083)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/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 |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201213
(CHEMBL3934979)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201211
(CHEMBL3930083)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201258
(CHEMBL3893138)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201260
(CHEMBL3921142)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201212
(CHEMBL3974129)Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201260
(CHEMBL3921142)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201211
(CHEMBL3930083)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201258
(CHEMBL3893138)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201214
(CHEMBL3903171)Show SMILES [O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-26(28-24(16-17-30(33)34)18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)29-27(32)35-20-23-14-8-3-9-15-23/h1-17,24-25H,18-20H2,(H,28,31)(H,29,32)/b17-16+/t24-,25+/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201261
(CHEMBL3982135)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201213
(CHEMBL3934979)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201212
(CHEMBL3974129)Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201260
(CHEMBL3921142)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201258
(CHEMBL3893138)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201257
(CHEMBL3912190)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201213
(CHEMBL3934979)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201211
(CHEMBL3930083)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201214
(CHEMBL3903171)Show SMILES [O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-26(28-24(16-17-30(33)34)18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)29-27(32)35-20-23-14-8-3-9-15-23/h1-17,24-25H,18-20H2,(H,28,31)(H,29,32)/b17-16+/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201214
(CHEMBL3903171)Show SMILES [O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-26(28-24(16-17-30(33)34)18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)29-27(32)35-20-23-14-8-3-9-15-23/h1-17,24-25H,18-20H2,(H,28,31)(H,29,32)/b17-16+/t24-,25+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50201261
(CHEMBL3982135)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzain |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201261
(CHEMBL3982135)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201260
(CHEMBL3921142)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201257
(CHEMBL3912190)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201214
(CHEMBL3903171)Show SMILES [O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-26(28-24(16-17-30(33)34)18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)29-27(32)35-20-23-14-8-3-9-15-23/h1-17,24-25H,18-20H2,(H,28,31)(H,29,32)/b17-16+/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201261
(CHEMBL3982135)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50229129
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50201256
(CHEMBL3902105)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-17(18(23)20-14(3)11-15(4)22(25)26)21-19(24)27-12-16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/b15-11+/t14-,17-/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 544 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores... |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201258
(CHEMBL3893138)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50201256
(CHEMBL3902105)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-17(18(23)20-14(3)11-15(4)22(25)26)21-19(24)27-12-16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/b15-11+/t14-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201256
(CHEMBL3902105)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-17(18(23)20-14(3)11-15(4)22(25)26)21-19(24)27-12-16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/b15-11+/t14-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50201257
(CHEMBL3912190)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Jaume I
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin B |
ACS Med Chem Lett 7: 1073-1076 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00276
BindingDB Entry DOI: 10.7270/Q2M32XR1 |
More data for this
Ligand-Target Pair | |
Search and Browse
