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2 similar compounds to monomer 50185388

Compile data set for download or QSAR
Wt: 759.0
BDBM50185400
Wt: 745.0
BDBM50185396

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50185400,50185396   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
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)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
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
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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