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BDBM50015950 1,3-bis(2-chloroethyl)-1-nitrosourea::Bicnu (TN)::CARMUSTINE::CHEMBL513::Gliadel::N,N'-Bis(2-chloroethyl)-N-nitrosourea

SMILES: ClCCNC(=O)N(CCCl)N=O

InChI Key: InChIKey=DLGOEMSEDOSKAD-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50015950   
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


(Saccharomyces cerevisiae)
BDBM50015950
PNG
(1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...)
Show SMILES ClCCNC(=O)N(CCCl)N=O
Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
PDB
MMDB

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n/an/a 4.41E+5n/an/an/an/an/an/a



South Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C


J Med Chem 48: 5224-31 (2005)

More data for this
Ligand-Target Pair
Glutathione reductase (GR)


(Homo sapiens (Human))
BDBM50015950
PNG
(1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...)
Show SMILES ClCCNC(=O)N(CCCl)N=O
Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay


Eur J Med Chem 71: 282-9 (2014)

More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50015950
PNG
(1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...)
Show SMILES ClCCNC(=O)N(CCCl)N=O
Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)

More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM50015950
PNG
(1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...)
Show SMILES ClCCNC(=O)N(CCCl)N=O
Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
KEGG

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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)

More data for this
Ligand-Target Pair