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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'dauer' and Initial = 'kl'   
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 cruzi)
BDBM50103373
PNG
(CHEMBL3398189)
Show SMILES NCCCN(CCCCN(CCCN)C1c2ccccc2CCc2ccccc12)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C40H50N4/c41-25-11-29-43(39-35-17-5-1-13-31(35)21-22-32-14-2-6-18-36(32)39)27-9-10-28-44(30-12-26-42)40-37-19-7-3-15-33(37)23-24-34-16-4-8-20-38(34)40/h1-8,13-20,39-40H,9-12,21-30,41-42H2
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
255n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103372
PNG
(CHEMBL378650)
Show SMILES NCCCCN(CCCN)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H31N3/c23-14-5-6-16-25(17-7-15-24)22-20-10-3-1-8-18(20)12-13-19-9-2-4-11-21(19)22/h1-4,8-11,22H,5-7,12-17,23-24H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103371
PNG
(CHEMBL3398188)
Show SMILES NCCCN(CCCN)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C21H29N3/c22-13-5-15-24(16-6-14-23)21-19-9-3-1-7-17(19)11-12-18-8-2-4-10-20(18)21/h1-4,7-10,21H,5-6,11-16,22-23H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

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Article
PubMed
7.62E+3n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103370
PNG
(CHEMBL3398187)
Show SMILES NCCN(CCN)C1c2ccccc2CCc2cccnc12
Show InChI InChI=1S/C18H24N4/c19-9-12-22(13-10-20)18-16-6-2-1-4-14(16)7-8-15-5-3-11-21-17(15)18/h1-6,11,18H,7-10,12-13,19-20H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.79E+4n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103369
PNG
(CHEMBL3398186)
Show SMILES CN(C)CCCNC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H26N2/c1-22(2)15-7-14-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,20-21H,7,12-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.16E+4n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50103368
PNG
(CHEMBL332939)
Show SMILES CN(C)CCNC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-21(2)14-13-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19-20H,11-14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.36E+5n/an/an/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma brucei brucei)
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Canisius College

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei brucei strain S427 trypanothione reductase assessed as reduction of trypanothione disulphide by 412 nm a...


Bioorg Med Chem 23: 996-1010 (2015)


Article DOI: 10.1016/j.bmc.2015.01.018
BindingDB Entry DOI: 10.7270/Q27P9166
More data for this
Ligand-Target Pair