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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: 9 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 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
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/a7.4n/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)


Article DOI: 10.1021/jm050030i
BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
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)
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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)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
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)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
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)
PDB

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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)


Article DOI: 10.1016/j.ejmech.2013.11.011
BindingDB Entry DOI: 10.7270/Q25Q4XKQ
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(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 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(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)
PDB

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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(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 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(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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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(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)
PDB

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n/an/a 9.72E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair