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BDBM50240908 CHEMBL170988::N''-[(E)-amino(imino)methyl]-N-(2-phenylethyl)guanidine::N''-{amino[(2-phenylethyl)imino]methyl}guanidine::N-(2-phenylethyl)imidodicarbonimidic diamide::N-(2-phenylethyl)imidodicarbonimidic diamide(Phenformin)::N-amino(imino)methyl-N-phenethyliminomethanediamine(Phenformin)::PHENFORMIN

SMILES: NC(=N)N=C(N)NCCc1ccccc1

InChI Key: InChIKey=ICFJFFQQTFMIBG-UHFFFAOYSA-N

Data: 4 KI  6 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 10 hits for monomerid = 50240908   
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
Adrenergic Alpha


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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n/an/a 1.00E+4n/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)


Article DOI: 10.1023/a:1019870831174
BindingDB Entry DOI: 10.7270/Q2T154ZH
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D2


(Rattus norvegicus)
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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n/an/a 4.54E+4n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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n/an/a 6.50E+4n/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)


Article DOI: 10.1023/a:1019870831174
BindingDB Entry DOI: 10.7270/Q2T154ZH
More data for this
Ligand-Target Pair
Cytochrome P450 2D18


(Rattus norvegicus)
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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PubMed
n/an/a 8.33E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D3


(Rattus norvegicus)
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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PubMed
n/an/a 1.93E+6n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50240908
PNG
(CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-p...)
Show SMILES NC(=N)N=C(N)NCCc1ccccc1
Show InChI InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Maastricht University Medical Centre

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 691-702 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.037
BindingDB Entry DOI: 10.7270/Q2MK6G3G
More data for this
Ligand-Target Pair