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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'veronesi' and Initial = 'g'   
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
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50485931
PNG
(CHEMBL2178999)
Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 |t:19|
Show InChI InChI=1S/C22H24N2O3/c23-12-4-1-5-13-24-15-16-8-10-17(11-9-16)27-21-14-20(25)18-6-2-3-7-19(18)22(21)26/h2-3,6-11,14,24H,1,4-5,12-13,15,23H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-inhibitor c...


J Med Chem 55: 10490-500 (2012)


Article DOI: 10.1021/jm301112z
BindingDB Entry DOI: 10.7270/Q2BC42D7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50485930
PNG
(CHEMBL2179000)
Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1 |t:19|
Show InChI InChI=1S/C26H26N2O3/c27-12-4-1-5-13-28-17-18-8-10-21(11-9-18)31-25-16-24(29)22-14-19-6-2-3-7-20(19)15-23(22)26(25)30/h2-3,6-11,14-16,28H,1,4-5,12-13,17,27H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-inhibitor c...


J Med Chem 55: 10490-500 (2012)


Article DOI: 10.1021/jm301112z
BindingDB Entry DOI: 10.7270/Q2BC42D7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50485930
PNG
(CHEMBL2179000)
Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1 |t:19|
Show InChI InChI=1S/C26H26N2O3/c27-12-4-1-5-13-28-17-18-8-10-21(11-9-18)31-25-16-24(29)22-14-19-6-2-3-7-20(19)15-23(22)26(25)30/h2-3,6-11,14-16,28H,1,4-5,12-13,17,27H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide by Lineweaver-Burk plot


J Med Chem 55: 10490-500 (2012)


Article DOI: 10.1021/jm301112z
BindingDB Entry DOI: 10.7270/Q2BC42D7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50485930
PNG
(CHEMBL2179000)
Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1 |t:19|
Show InChI InChI=1S/C26H26N2O3/c27-12-4-1-5-13-28-17-18-8-10-21(11-9-18)31-25-16-24(29)22-14-19-6-2-3-7-20(19)15-23(22)26(25)30/h2-3,6-11,14-16,28H,1,4-5,12-13,17,27H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-substrate-i...


J Med Chem 55: 10490-500 (2012)


Article DOI: 10.1021/jm301112z
BindingDB Entry DOI: 10.7270/Q2BC42D7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM50485931
PNG
(CHEMBL2178999)
Show SMILES OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 |t:19|
Show InChI InChI=1S/C22H24N2O3/c23-12-4-1-5-13-24-15-16-8-10-17(11-9-16)27-21-14-20(25)18-6-2-3-7-19(18)22(21)26/h2-3,6-11,14,24H,1,4-5,12-13,15,23H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-substrate-i...


J Med Chem 55: 10490-500 (2012)


Article DOI: 10.1021/jm301112z
BindingDB Entry DOI: 10.7270/Q2BC42D7
More data for this
Ligand-Target Pair