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2 similar compounds to monomer 81818

Compile data set for download or QSAR
Wt: 299.7
BDBM50270005
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Wt: 300.7
BDBM50356142

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50270005,50356142   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50270005
PNG
(5'-(N-ethyl-N-isopropyl)amiloride | CHEMBL1909809 ...)
Show SMILES CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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PCBioAssay
n/an/an/an/a 6.41E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger


(Amphiuma tridactylum)
BDBM50270005
PNG
(5'-(N-ethyl-N-isopropyl)amiloride | CHEMBL1909809 ...)
Show SMILES CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride ...


J Biol Chem 282: 19716-27 (2007)


Article DOI: 10.1074/jbc.M701637200
BindingDB Entry DOI: 10.7270/Q2N0169D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50270005
PNG
(5'-(N-ethyl-N-isopropyl)amiloride | CHEMBL1909809 ...)
Show SMILES CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 21: 6760-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.044
BindingDB Entry DOI: 10.7270/Q2VT1SH8
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50356142
PNG
(CHEMBL1909802)
Show SMILES CNCCN(C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C10H17ClN8O/c1-15-3-4-19(2)8-6(11)16-5(7(12)17-8)9(20)18-10(13)14/h15H,3-4H2,1-2H3,(H2,12,17)(H4,13,14,18,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 21: 6760-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.044
BindingDB Entry DOI: 10.7270/Q2VT1SH8
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens (Human))
BDBM50270005
PNG
(5'-(N-ethyl-N-isopropyl)amiloride | CHEMBL1909809 ...)
Show SMILES CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Show InChI InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
PDB

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protoc...


J Biol Chem 282: 19716-27 (2007)


Article DOI: 10.1074/jbc.M701637200
BindingDB Entry DOI: 10.7270/Q2N0169D
More data for this
Ligand-Target Pair