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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'oliveira e silva' and Initial = 'da'   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50282986
PNG
(CHEMBL3786939)
Show SMILES C\C(=N/Nc1nc(C)cs1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H11Cl2N3S/c1-7-6-18-12(15-7)17-16-8(2)9-3-4-10(13)11(14)5-9/h3-6H,1-2H3,(H,15,17)/b16-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Universidade Federal de Pernambuco - UFPE

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...


Eur J Med Chem 141: 346-361 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.047
BindingDB Entry DOI: 10.7270/Q2F1927C
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50282987
PNG
(CHEMBL4165151)
Show SMILES C\C(=N/Nc1nc(C)c(C)s1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H13Cl2N3S/c1-7-9(3)19-13(16-7)18-17-8(2)10-4-5-11(14)12(15)6-10/h4-6H,1-3H3,(H,16,18)/b17-8+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Universidade Federal de Pernambuco - UFPE

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...


Eur J Med Chem 141: 346-361 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.047
BindingDB Entry DOI: 10.7270/Q2F1927C
More data for this
Ligand-Target Pair