Found 5 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50007630' 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) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo
Curated by ChEMBL
| Assay Description
Competitive inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate by Lineweaver-Burk plot analys... |
J Med Chem 57: 2380-92 (2014)
Article DOI: 10.1021/jm401709b
BindingDB Entry DOI: 10.7270/Q2GT5PPC |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de S£o Paulo
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins |
J Med Chem 57: 2380-92 (2014)
Article DOI: 10.1021/jm401709b
BindingDB Entry DOI: 10.7270/Q2GT5PPC |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50007630
(CHEMBL3233095)Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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