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PubMed code 26231082

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cruzipain


(Trypanosoma cruzi)
BDBM50117291
PNG
(CHEMBL3613587)
Show SMILES NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H12BrCl2N3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay


Eur J Med Chem 101: 818-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.048
BindingDB Entry DOI: 10.7270/Q22R3TG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50117285
PNG
(CHEMBL3613583)
Show SMILES NC(=S)N\N=C(/COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H12BrClFN3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-13(18)12(17)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay


Eur J Med Chem 101: 818-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.048
BindingDB Entry DOI: 10.7270/Q22R3TG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50117281
PNG
(CHEMBL3613582)
Show SMILES NC(=S)N\N=C(/COc1ccc(F)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H13BrFN3OS/c16-11-3-1-10(2-4-11)14(19-20-15(18)22)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H3,18,20,22)/b19-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay


Eur J Med Chem 101: 818-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.048
BindingDB Entry DOI: 10.7270/Q22R3TG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50117278
PNG
(CHEMBL3613569)
Show SMILES NC(=S)N\N=C(\COc1ccc(Br)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H18BrN3OS/c22-18-10-12-19(13-11-18)26-14-20(24-25-21(23)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H3,23,25,27)/b24-20-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay


Eur J Med Chem 101: 818-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.048
BindingDB Entry DOI: 10.7270/Q22R3TG5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%