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PubMed code 16616495

Compile data set for download or QSAR
Found 28 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
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185388
PNG
(CHEMBL378900 | N-(3,3-diphenylpropyl)-1-3-[3-({7-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H68N12/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59)
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n/an/a 950n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185389
PNG
(CHEMBL209039 | N-(2,2-diphenylethyl)-1-3-[3-({7-[(...)
Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C45H64N12/c46-42(56-44(48)54-34-40(36-20-8-4-9-21-36)37-22-10-5-11-23-37)52-32-18-30-50-28-16-2-1-3-17-29-51-31-19-33-53-43(47)57-45(49)55-35-41(38-24-12-6-13-25-38)39-26-14-7-15-27-39/h4-15,20-27,40-41,50-51H,1-3,16-19,28-35H2,(H5,46,48,52,54,56)(H5,47,49,53,55,57)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185394
PNG
(CHEMBL379701 | N-(3,3-diphenyl-propyl)-N'-[3-(7-{3...)
Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C45H64N8/c46-44(52-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)50-34-18-32-48-30-16-2-1-3-17-31-49-33-19-35-51-45(47)53-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,48-49H,1-3,16-19,28-37H2,(H3,46,50,52)(H3,47,51,53)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185393
PNG
(CHEMBL210371 | N-(2,2-diphenylethyl)-1-3-[3-({4-[(...)
Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H58N12/c43-39(53-41(45)51-31-37(33-17-5-1-6-18-33)34-19-7-2-8-20-34)49-29-15-27-47-25-13-14-26-48-28-16-30-50-40(44)54-42(46)52-32-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-12,17-24,37-38,47-48H,13-16,25-32H2,(H5,43,45,49,51,53)(H5,44,46,50,52,54)
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n/an/a 2.74E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185400
PNG
(CHEMBL378136 | N-(3,3-diphenylpropyl)-1-3-[3-({4-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C44H62N12/c45-41(55-43(47)53-33-25-39(35-17-5-1-6-18-35)36-19-7-2-8-20-36)51-31-15-29-49-27-13-14-28-50-30-16-32-52-42(46)56-44(48)54-34-26-40(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-12,17-24,39-40,49-50H,13-16,25-34H2,(H5,45,47,51,53,55)(H5,46,48,52,54,56)
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n/an/a 2.96E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185397
PNG
(CHEMBL380857 | N-(3,3-diphenyl-propyl)-N'-[3-(4-{3...)
Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H58N8/c43-41(49-33-25-39(35-17-5-1-6-18-35)36-19-7-2-8-20-36)47-31-15-29-45-27-13-14-28-46-30-16-32-48-42(44)50-34-26-40(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-12,17-24,39-40,45-46H,13-16,25-34H2,(H3,43,47,49)(H3,44,48,50)
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n/an/a 2.97E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185401
PNG
(CHEMBL207163 | N-(2,2-diphenyl-ethyl)-N'-[3-(3-{3-...)
Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H52N8/c40-38(46-30-36(32-16-5-1-6-17-32)33-18-7-2-8-19-33)44-28-14-26-42-24-13-25-43-27-15-29-45-39(41)47-31-37(34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,16-23,36-37,42-43H,13-15,24-31H2,(H3,40,44,46)(H3,41,45,47)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185396
PNG
(CHEMBL207396 | N-(3,3-diphenylpropyl)-1-3-[3-({3-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H60N12/c44-40(54-42(46)52-32-24-38(34-16-5-1-6-17-34)35-18-7-2-8-19-35)50-30-14-28-48-26-13-27-49-29-15-31-51-41(45)55-43(47)53-33-25-39(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-12,16-23,38-39,48-49H,13-15,24-33H2,(H5,44,46,50,52,54)(H5,45,47,51,53,55)
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n/an/a 3.68E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185390
PNG
(CHEMBL209834 | N-(2,2-diphenylethyl)-1-3-[3-({3-[(...)
Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H56N12/c42-38(52-40(44)50-30-36(32-16-5-1-6-17-32)33-18-7-2-8-19-33)48-28-14-26-46-24-13-25-47-27-15-29-49-39(43)53-41(45)51-31-37(34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,16-23,36-37,46-47H,13-15,24-31H2,(H5,42,44,48,50,52)(H5,43,45,49,51,53)
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n/an/a 4.16E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185395
PNG
(CHEMBL210370 | N-(2,2-diphenyl-ethyl)-N'-[3-(4-{3-...)
Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H54N8/c41-39(47-31-37(33-17-5-1-6-18-33)34-19-7-2-8-20-34)45-29-15-27-43-25-13-14-26-44-28-16-30-46-40(42)48-32-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-12,17-24,37-38,43-44H,13-16,25-32H2,(H3,41,45,47)(H3,42,46,48)
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n/an/a 4.56E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185399
PNG
(CHEMBL208290 | N-(2,2-diphenyl-ethyl)-N'-[3-(7-{3-...)
Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H60N8/c44-42(50-34-40(36-20-8-4-9-21-36)37-22-10-5-11-23-37)48-32-18-30-46-28-16-2-1-3-17-29-47-31-19-33-49-43(45)51-35-41(38-24-12-6-13-25-38)39-26-14-7-15-27-39/h4-15,20-27,40-41,46-47H,1-3,16-19,28-35H2,(H3,44,48,50)(H3,45,49,51)
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n/an/a 4.72E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185398
PNG
(CHEMBL382434 | N-(3,3-diphenyl-propyl)-N'-[3-(3-{3...)
Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H56N8/c42-40(48-32-24-38(34-16-5-1-6-17-34)35-18-7-2-8-19-35)46-30-14-28-44-26-13-27-45-29-15-31-47-41(43)49-33-25-39(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-12,16-23,38-39,44-45H,13-15,24-33H2,(H3,42,46,48)(H3,43,47,49)
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n/an/a 5.07E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185392
PNG
(1-cycloheptyl-3-{3-[(7-{[3-(3-cycloheptylcarbamimi...)
Show SMILES NC(NC1CCCCCC1)=NCCCNCCCCCCCNCCCN=C(N)NC1CCCCCC1
Show InChI InChI=1S/C29H60N8/c30-28(36-26-16-8-2-3-9-17-26)34-24-14-22-32-20-12-6-1-7-13-21-33-23-15-25-35-29(31)37-27-18-10-4-5-11-19-27/h26-27,32-33H,1-25H2,(H3,30,34,36)(H3,31,35,37)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50185391
PNG
(CHEMBL439520 | N-benzyl-N'-(3-{7-[3-(N'-benzyl-gua...)
Show SMILES NC(NCc1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCc1ccccc1
Show InChI InChI=1S/C29H48N8/c30-28(36-24-26-14-6-4-7-15-26)34-22-12-20-32-18-10-2-1-3-11-19-33-21-13-23-35-29(31)37-25-27-16-8-5-9-17-27/h4-9,14-17,32-33H,1-3,10-13,18-25H2,(H3,30,34,36)(H3,31,35,37)
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n/an/a 6.95E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi TR


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185400
PNG
(CHEMBL378136 | N-(3,3-diphenylpropyl)-1-3-[3-({4-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C44H62N12/c45-41(55-43(47)53-33-25-39(35-17-5-1-6-18-35)36-19-7-2-8-20-36)51-31-15-29-49-27-13-14-28-50-30-16-32-52-42(46)56-44(48)54-34-26-40(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-12,17-24,39-40,49-50H,13-16,25-34H2,(H5,45,47,51,53,55)(H5,46,48,52,54,56)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185398
PNG
(CHEMBL382434 | N-(3,3-diphenyl-propyl)-N'-[3-(3-{3...)
Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H56N8/c42-40(48-32-24-38(34-16-5-1-6-17-34)35-18-7-2-8-19-35)46-30-14-28-44-26-13-27-45-29-15-31-47-41(43)49-33-25-39(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-12,16-23,38-39,44-45H,13-15,24-33H2,(H3,42,46,48)(H3,43,47,49)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185389
PNG
(CHEMBL209039 | N-(2,2-diphenylethyl)-1-3-[3-({7-[(...)
Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C45H64N12/c46-42(56-44(48)54-34-40(36-20-8-4-9-21-36)37-22-10-5-11-23-37)52-32-18-30-50-28-16-2-1-3-17-29-51-31-19-33-53-43(47)57-45(49)55-35-41(38-24-12-6-13-25-38)39-26-14-7-15-27-39/h4-15,20-27,40-41,50-51H,1-3,16-19,28-35H2,(H5,46,48,52,54,56)(H5,47,49,53,55,57)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185396
PNG
(CHEMBL207396 | N-(3,3-diphenylpropyl)-1-3-[3-({3-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H60N12/c44-40(54-42(46)52-32-24-38(34-16-5-1-6-17-34)35-18-7-2-8-19-35)50-30-14-28-48-26-13-27-49-29-15-31-51-41(45)55-43(47)53-33-25-39(36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-12,16-23,38-39,48-49H,13-15,24-33H2,(H5,44,46,50,52,54)(H5,45,47,51,53,55)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185391
PNG
(CHEMBL439520 | N-benzyl-N'-(3-{7-[3-(N'-benzyl-gua...)
Show SMILES NC(NCc1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCc1ccccc1
Show InChI InChI=1S/C29H48N8/c30-28(36-24-26-14-6-4-7-15-26)34-22-12-20-32-18-10-2-1-3-11-19-33-21-13-23-35-29(31)37-25-27-16-8-5-9-17-27/h4-9,14-17,32-33H,1-3,10-13,18-25H2,(H3,30,34,36)(H3,31,35,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185401
PNG
(CHEMBL207163 | N-(2,2-diphenyl-ethyl)-N'-[3-(3-{3-...)
Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H52N8/c40-38(46-30-36(32-16-5-1-6-17-32)33-18-7-2-8-19-33)44-28-14-26-42-24-13-25-43-27-15-29-45-39(41)47-31-37(34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,16-23,36-37,42-43H,13-15,24-31H2,(H3,40,44,46)(H3,41,45,47)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185392
PNG
(1-cycloheptyl-3-{3-[(7-{[3-(3-cycloheptylcarbamimi...)
Show SMILES NC(NC1CCCCCC1)=NCCCNCCCCCCCNCCCN=C(N)NC1CCCCCC1
Show InChI InChI=1S/C29H60N8/c30-28(36-26-16-8-2-3-9-17-26)34-24-14-22-32-20-12-6-1-7-13-21-33-23-15-25-35-29(31)37-27-18-10-4-5-11-19-27/h26-27,32-33H,1-25H2,(H3,30,34,36)(H3,31,35,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185394
PNG
(CHEMBL379701 | N-(3,3-diphenyl-propyl)-N'-[3-(7-{3...)
Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C45H64N8/c46-44(52-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)50-34-18-32-48-30-16-2-1-3-17-31-49-33-19-35-51-45(47)53-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,48-49H,1-3,16-19,28-37H2,(H3,46,50,52)(H3,47,51,53)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185390
PNG
(CHEMBL209834 | N-(2,2-diphenylethyl)-1-3-[3-({3-[(...)
Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H56N12/c42-38(52-40(44)50-30-36(32-16-5-1-6-17-32)33-18-7-2-8-19-33)48-28-14-26-46-24-13-25-47-27-15-29-49-39(43)53-41(45)51-31-37(34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-12,16-23,36-37,46-47H,13-15,24-31H2,(H5,42,44,48,50,52)(H5,43,45,49,51,53)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185399
PNG
(CHEMBL208290 | N-(2,2-diphenyl-ethyl)-N'-[3-(7-{3-...)
Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C43H60N8/c44-42(50-34-40(36-20-8-4-9-21-36)37-22-10-5-11-23-37)48-32-18-30-46-28-16-2-1-3-17-29-47-31-19-33-49-43(45)51-35-41(38-24-12-6-13-25-38)39-26-14-7-15-27-39/h4-15,20-27,40-41,46-47H,1-3,16-19,28-35H2,(H3,44,48,50)(H3,45,49,51)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185395
PNG
(CHEMBL210370 | N-(2,2-diphenyl-ethyl)-N'-[3-(4-{3-...)
Show SMILES NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H54N8/c41-39(47-31-37(33-17-5-1-6-18-33)34-19-7-2-8-20-34)45-29-15-27-43-25-13-14-26-44-28-16-30-46-40(42)48-32-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-12,17-24,37-38,43-44H,13-16,25-32H2,(H3,41,45,47)(H3,42,46,48)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185397
PNG
(CHEMBL380857 | N-(3,3-diphenyl-propyl)-N'-[3-(4-{3...)
Show SMILES NC(NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H58N8/c43-41(49-33-25-39(35-17-5-1-6-18-35)36-19-7-2-8-20-36)47-31-15-29-45-27-13-14-28-46-30-16-32-48-42(44)50-34-26-40(37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-12,17-24,39-40,45-46H,13-16,25-34H2,(H3,43,47,49)(H3,44,48,50)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185393
PNG
(CHEMBL210371 | N-(2,2-diphenylethyl)-1-3-[3-({4-[(...)
Show SMILES NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H58N12/c43-39(53-41(45)51-31-37(33-17-5-1-6-18-33)34-19-7-2-8-20-34)49-29-15-27-47-25-13-14-26-48-28-16-30-50-40(44)54-42(46)52-32-38(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-12,17-24,37-38,47-48H,13-16,25-32H2,(H5,43,45,49,51,53)(H5,44,46,50,52,54)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50185388
PNG
(CHEMBL378900 | N-(3,3-diphenylpropyl)-1-3-[3-({7-[...)
Show SMILES NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H68N12/c48-44(58-46(50)56-36-28-42(38-20-8-4-9-21-38)39-22-10-5-11-23-39)54-34-18-32-52-30-16-2-1-3-17-31-53-33-19-35-55-45(49)59-47(51)57-37-29-43(40-24-12-6-13-25-40)41-26-14-7-15-27-41/h4-15,20-27,42-43,52-53H,1-3,16-19,28-37H2,(H5,48,50,54,56,58)(H5,49,51,55,57,59)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of human glutathione reductase


Bioorg Med Chem Lett 16: 3229-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.048
BindingDB Entry DOI: 10.7270/Q2JH3KS7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%