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Compile Data Set for Download or QSAR

Found 54 hits of ic50 for monomerid = 45440   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein tyrosine phosphatase type IVA 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 300n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A2 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 300n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A1 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 300n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A3 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 410n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis


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
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 720n/an/an/an/a7.6n/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced cur...


Bioorg Med Chem 22: 1983-92 (2014)


Article DOI: 10.1016/j.bmc.2014.02.049
BindingDB Entry DOI: 10.7270/Q2N29ZGG
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 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
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis


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
Multidrug and toxin extrusion protein 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM 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
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.70E+3n/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
Plasminogen


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human plasmin assessed as reduction in protein-mediated thrombin-induced fibrin rich clot lysis measured over 5 to 100 mins


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
BindingDB Entry DOI: 10.7270/Q2VQ361P
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Direct inhibition of human plasmin preincubated for 10 mins followed by spectrozyme PL addition


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
BindingDB Entry DOI: 10.7270/Q2VQ361P
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 9.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 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
Plasminogen


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...


J Med Chem 62: 3989-4012 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02021
BindingDB Entry DOI: 10.7270/Q2HQ4399
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of Tracer Red from human ERG by fluorescence polarization assay


J Med Chem 62: 3989-4012 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02021
BindingDB Entry DOI: 10.7270/Q2HQ4399
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE2K-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
Coagulation factor X


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a preincubated for 10 mins followed by spectrozyme FXa addition


J Med Chem 63: 1445-1472 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01060
BindingDB Entry DOI: 10.7270/Q2VQ361P
More data for this
Ligand-Target Pair
Coagulation factor XII


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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PCBioAssay
n/an/a 1.37E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.87E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human ERG incubated for 2 hrs by fluorescence polarisation assay


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.88E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Tracer Red dye based fluorescence polarization assay


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.21E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.48E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.48E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in baculovirus-infected insect cells using Luciferin-ME EGE as substrate in presence of NADPH by P450-Glo lumine...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...


J Med Chem 62: 3989-4012 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02021
BindingDB Entry DOI: 10.7270/Q2HQ4399
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by...


J Med Chem 62: 3989-4012 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02021
BindingDB Entry DOI: 10.7270/Q2HQ4399
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...


J Med Chem 62: 3989-4012 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02021
BindingDB Entry DOI: 10.7270/Q2HQ4399
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...


J Med Chem 62: 3989-4012 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02021
BindingDB Entry DOI: 10.7270/Q2HQ4399
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit muscle GAPDH.


J Med Chem 44: 2080-93 (2001)


BindingDB Entry DOI: 10.7270/Q2086604
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 5.36E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem Lett 18: 2250-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.013
BindingDB Entry DOI: 10.7270/Q26Q1X08
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 5.36E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3


Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Homo sapiens)
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 8.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01208
BindingDB Entry DOI: 10.7270/Q25X2DZR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Homo sapiens)
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...


Bioorg Med Chem Lett 26: 5247-5253 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.051
BindingDB Entry DOI: 10.7270/Q2WW7MRM
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human aurora B kinase expressed in baculovirus system using MBP as substrate incubated for 45 mins by ADP-glo k...


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Medical University



Assay Description
Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was in...


J Enzyme Inhib Med Chem 25: 629-34 (2010)


Article DOI: 10.3109/14756360903389872
BindingDB Entry DOI: 10.7270/Q2SB44NW
More data for this
Ligand-Target Pair
Protein S100-B


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay


Bioorg Med Chem 21: 1109-15 (2013)


Article DOI: 10.1016/j.bmc.2012.12.042
BindingDB Entry DOI: 10.7270/Q21C1Z6C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in baculovirus-infected insect cells using Luciferin-1A2 as substrate in presence of NADPH by P450-Glo luminesce...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in baculovirus-infected insect cells using Luciferin-H EGE as substrate in presence of NADPH by P450-Glo lumine...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in baculovirus-infected insect cells using Luciferin-PFBE as substrate in presence of NADPH by P450-Glo luminesc...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in baculovirus-infected insect cells using Luciferin-H as substrate in presence of NADPH by P450-Glo luminescenc...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay


Eur J Med Chem 146: 423-434 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.043
BindingDB Entry DOI: 10.7270/Q2SN0CMX
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...


Bioorg Med Chem Lett 26: 5247-5253 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.051
BindingDB Entry DOI: 10.7270/Q2WW7MRM
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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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))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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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
ATP-binding cassette sub-family C member 4


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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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
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