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BDBM50241293 (5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester::ALBENDAZOLE::Albenza::CHEMBL1483::SK&F-62979::methyl 5-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate::methyl 6-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate

SMILES: CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1

InChI Key: InChIKey=HXHWSAZORRCQMX-UHFFFAOYSA-N

Data: 7 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50241293   
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
Methionine Aminopeptidase (MAP)


(Escherichia coli (strain K12))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of Co2+ loaded MetAP expressed in Escherichia coli


J Med Chem 49: 511-22 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50241293
PNG
((5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
UniProtKB/SwissProt

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CHEMBL
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PC cid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Drug Metabolism, Pfizer Global Research, La Jolla, California, USA.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)

More data for this
Ligand-Target Pair