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SMILES: [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]

InChI Key: InChIKey=XZWYZXLIPXDOLR-UHFFFAOYSA-N

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 12 hits for monomerid = 50229665   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
PDB
MMDB

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n/an/a 2.90E+4n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 18: 479-84 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.107
BindingDB Entry DOI: 10.7270/Q27W6BX8
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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n/an/a 1.70E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Cimetidine uptake (Cimetidine: 1 uM) in Xenopus laevis oocytes


Pharm Res 19: 1244-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T154ZH
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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n/an/a 2.01E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Cimetidine uptake (Cimetidine: 1 uM) in Xenopus laevis oocytes


Pharm Res 19: 1244-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T154ZH
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
PDB
MMDB

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1.80E+7n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis


J Med Chem 63: 8314-8324 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00546
BindingDB Entry DOI: 10.7270/Q2T72N1J
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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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 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
ATP-binding cassette sub-family C member 4


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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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 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
ATP-binding cassette sub-family C member 3


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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 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))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
PDB

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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 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
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50229665
PNG
(1,1-Dimethylbiguanide | CHEMBL1431 | METFORMIN | N...)
Show SMILES [#6]-[#7](-[#6])-[#6](=[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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n/an/a 1.23E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair