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PubMed code 18547811

Compile data set for download or QSAR
Found 9 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)
BDBM50243051
PNG
(4-(Benzofuroxan-5-ylmethyloxy)benzaldehydeamidinoh...)
Show SMILES NC([NH-])=[NH+]N=Cc1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1 |w:5.5,3.3|
Show InChI InChI=1S/C15H13N6O3/c16-15(17)19-18-8-10-1-4-12(5-2-10)23-9-11-3-6-13-14(7-11)21(22)24-20-13/h1-8H,9H2,(H3-,16,17,19)/q-1/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50242897
PNG
(4-(Benzofuroxan-5-ylmethyloxy)benzaldehydethiosemi...)
Show SMILES NC(=S)N[N-][CH+]c1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1
Show InChI InChI=1S/C15H13N5O3S/c16-15(24)18-17-8-10-1-4-12(5-2-10)22-9-11-3-6-13-14(7-11)20(21)23-19-13/h1-8H,9H2,(H3,16,18,24)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50243052
PNG
(2-[(Benzofuroxan-5-yl)methylene]-1-(2-hydroxybenzy...)
Show SMILES Oc1ccccc1C=[N+]=N[CH-]c1ccc2no[n+]([O-])c2c1
Show InChI InChI=1S/C14H9N4O3/c19-14-4-2-1-3-11(14)9-16-15-8-10-5-6-12-13(7-10)18(20)21-17-12/h1-9H/q-1/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50243054
PNG
(2-[(Benzofuroxan-5-yl)methylene]-1-(5-bromo-2-hydr...)
Show SMILES Oc1ccc(C=[N+]=N[CH-]c2ccc3no[n+]([O-])c3c2)cc1Br
Show InChI InChI=1S/C14H8BrN4O3/c15-11-5-9(2-4-14(11)20)7-16-17-8-10-1-3-12-13(6-10)19(21)22-18-12/h1-8H/q-1/p+1
PDB
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50242827
PNG
(CHEMBL460050 | N4-Phenyl benzofuroxan-5-carboxalde...)
Show SMILES [O-][n+]1onc2ccc([CH+][N-]NC(=S)Nc3ccccc3)cc12
Show InChI InChI=1S/C14H11N5O2S/c20-19-13-8-10(6-7-12(13)18-21-19)9-15-17-14(22)16-11-4-2-1-3-5-11/h1-9H,(H2,16,17,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50242826
PNG
(4-Allyl-1-(N1-oxide-benzo[1,2-c][1,2,5]oxadiazole-...)
Show SMILES [O-][n+]1onc2ccc([CH+][N-]NC(=S)NCC=C)cc12
Show InChI InChI=1S/C11H11N5O2S/c1-2-5-12-11(19)14-13-7-8-3-4-9-10(6-8)16(17)18-15-9/h2-4,6-7H,1,5H2,(H2,12,14,19)
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50242830
PNG
(4-(Benzofuroxan-5-ylmethyloxy)benzaldehydesemicarb...)
Show SMILES NC(=O)N[N-][CH+]c1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1
Show InChI InChI=1S/C15H13N5O4/c16-15(21)18-17-8-10-1-4-12(5-2-10)23-9-11-3-6-13-14(7-11)20(22)24-19-13/h1-8H,9H2,(H3,16,18,21)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50242825
PNG
(Benzofuroxan-5-carboxaldehyde thiosemicarbazone | ...)
Show SMILES NC(=S)N[N-][CH+]c1ccc2no[n+]([O-])c2c1
Show InChI InChI=1S/C8H7N5O2S/c9-8(16)11-10-4-5-1-2-6-7(3-5)13(14)15-12-6/h1-4H,(H3,9,11,16)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50243053
PNG
(2-[(Benzofuroxan-5-yl)methylene]-1-(4-hydroxybenzy...)
Show SMILES Oc1ccc(C=[N+]=N[CH-]c2ccc3no[n+]([O-])c3c2)cc1
Show InChI InChI=1S/C14H9N4O3/c19-12-4-1-10(2-5-12)8-15-16-9-11-3-6-13-14(7-11)18(20)21-17-13/h1-9H/q-1/p+1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Unviersidad de la República

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry


Bioorg Med Chem 16: 6995-7004 (2008)


Article DOI: 10.1016/j.bmc.2008.05.038
BindingDB Entry DOI: 10.7270/Q28G8KHQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%