BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Trypanothione Reductase (TR)' AND taxid = 5656   
Target
(Institution)
LigandTarget
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 (TR)


(Crithidia fasciculata)
BDBM50240622
PNG
(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Show SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Pontificia Universidad Catolica del Peru

Curated by ChEMBL


Assay Description
Inhibition of Crithidia fasciculata free trypanothione reductase


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM50240622
PNG
(3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...)
Show SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Pontificia Universidad Catolica del Peru

Curated by ChEMBL


Assay Description
Inhibition of Crithidia fasciculata trypanothione reductase-substrate complex


Citation and Details
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM50242977
PNG
(CHEMBL500862 | Cepharanthine | cepharantine)
Show SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.50E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85440
PNG
(Lindoldhamine (R,R))
Show SMILES COc1cc2CCN[C@H](Cc3ccc(Oc4cc(C[C@H]5NCCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O
Show InChI InChI=1S/C34H36N2O6/c1-40-32-16-22-9-11-35-27(25(22)18-30(32)38)13-20-3-6-24(7-4-20)42-34-15-21(5-8-29(34)37)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h3-8,15-19,27-28,35-39H,9-14H2,1-2H3/t27-,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.70E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85441
PNG
(Daphnoline (R,S))
Show SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6NCCc7cc(OC)c(Oc(c1O)c23)cc67)ccc5O)cc4
Show InChI InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM50241641
PNG
((+)-Homoaromoline | CHEMBL509855 | Homoaromoline |...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.50E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85442
PNG
(Gyrocarpine (S,R))
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(O)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)17-23-8-11-31(41-3)33(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.80E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM41947
PNG
((-)-BEBEERINE | MLS000069827 | SMR000058852 | bebe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 6.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM50292467
PNG
(Antioquine | Antioquine (S,R) | CHEMBL446564 | CHE...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(c4)-c4cc(C[C@H]5N(C)CCc6cc(OC)c(Oc(c1O)c23)cc56)ccc4O
Show InChI InChI=1S/C37H40N2O6/c1-38-12-10-23-18-32(43-4)33-20-25(23)28(38)16-21-6-8-30(40)26(14-21)27-15-22(7-9-31(27)42-3)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 6.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85443
PNG
(Limacine (R,R))
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(O)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 9.00E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85444
PNG
(CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.22E+5n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85444
PNG
(CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
Show InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.35E+5n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM85446
PNG
(Cycleanine (R,R))
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5c(OC)c(OC)cc6CCN(C)[C@H](Cc7ccc(Oc(c1OC)c23)cc7)c56)cc4
Show InChI InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.03E+5n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)

More data for this
Ligand-Target Pair