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PubMed code 26191355

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)		BDBM50112170
PNG
(CHEMBL3608425)
Show SMILES [O-]C(=O)C(F)(F)F.COc1ccc(CCC[N+]2(CCCc3ccccc3)CCCC(C2)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C29H37ClN6O2.C2HF3O2/c1-38-24-15-13-22(14-16-24)11-6-18-36(17-5-10-21-8-3-2-4-9-21)19-7-12-23(20-36)33-29(37)25-27(31)35-28(32)26(30)34-25;3-2(4,5)1(6)7/h2-4,8-9,13-16,23H,5-7,10-12,17-20H2,1H3,(H4-,31,32,33,35,37);(H,6,7)
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n/an/a 6n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...

ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)		BDBM50112167
PNG
(CHEMBL3608428)
Show SMILES Cl.[Cl-].Nc1nc(N)c(nc1Cl)C(=O)N[C@H]1CCC[N+](CCCc2ccc(OCC(=O)NCCc3ccccn3)cc2)(CCCc2ccc(OCC(=O)NCCc3ccccn3)cc2)C1 |r|
Show InChI InChI=1S/C46H55ClN10O5.2ClH/c47-43-45(49)56-44(48)42(55-43)46(60)54-37-12-7-29-57(30-37,27-5-8-33-13-17-38(18-14-33)61-31-40(58)52-25-21-35-10-1-3-23-50-35)28-6-9-34-15-19-39(20-16-34)62-32-41(59)53-26-22-36-11-2-4-24-51-36;;/h1-4,10-11,13-20,23-24,37H,5-9,12,21-22,25-32H2,(H6-,48,49,52,53,54,56,58,59,60);2*1H/t37-;;/m0../s1
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n/an/a 6n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...

ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)		BDBM50112171
PNG
(CHEMBL3608426)
Show SMILES Cl.[Cl-].Nc1nc(N)c(nc1Cl)C(=O)N[C@H]1CCC[N+](CCCc2ccc(OCC(=O)NCCn3ccnc3)cc2)(CCCc2ccc(OCC(=O)NCCn3ccnc3)cc2)C1 |r|
Show InChI InChI=1S/C42H53ClN12O5.2ClH/c43-39-41(45)52-40(44)38(51-39)42(58)50-33-6-3-25-55(26-33,23-1-4-31-7-11-34(12-8-31)59-27-36(56)48-17-21-53-19-15-46-29-53)24-2-5-32-9-13-35(14-10-32)60-28-37(57)49-18-22-54-20-16-47-30-54;;/h7-16,19-20,29-30,33H,1-6,17-18,21-28H2,(H6-,44,45,48,49,50,52,56,57,58);2*1H/t33-;;/m0../s1
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n/an/a 9n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...

ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)		BDBM50112172
PNG
(CHEMBL3608427)
Show SMILES [Cl-].Nc1nc(N)c(nc1Cl)C(=O)N[C@H]1CCC[N+](CCCc2ccc(OCC(=O)NCCCO)cc2)(CCCc2ccc(OCC(=O)NCCCO)cc2)C1 |r|
Show InChI InChI=1S/C38H53ClN8O7.ClH/c39-35-37(41)46-36(40)34(45-35)38(52)44-29-8-3-21-47(24-29,19-1-6-27-9-13-30(14-10-27)53-25-32(50)42-17-4-22-48)20-2-7-28-11-15-31(16-12-28)54-26-33(51)43-18-5-23-49;/h9-16,29,48-49H,1-8,17-26H2,(H6-,40,41,42,43,44,46,50,51,52);1H/t29-;/m0./s1
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n/an/a 13n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...

ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)		BDBM50112169
PNG
(CHEMBL3608424)
Show SMILES [Cl-].COc1ccc(CCC[N+]2(CCCc3ccc(cc3)C(=O)NCCCN(C)C)CCCC(C2)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C35H49ClN8O3.ClH/c1-43(2)20-7-19-39-34(45)27-15-11-25(12-16-27)8-4-21-44(22-5-9-26-13-17-29(47-3)18-14-26)23-6-10-28(24-44)40-35(46)30-32(37)42-33(38)31(36)41-30;/h11-18,28H,4-10,19-24H2,1-3H3,(H5-,37,38,39,40,42,45,46);1H
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n/an/a 20n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...

ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel subunit alpha


(Mus musculus)		BDBM50112168
PNG
(CHEMBL3608423)
Show SMILES [Cl-].COc1ccc(CCC[N@@+]2(C)CCC[C@@H](C2)NC(=O)c2nc(Cl)c(N)nc2N)cc1 |r|
Show InChI InChI=1S/C21H29ClN6O2.ClH/c1-28(11-3-5-14-7-9-16(30-2)10-8-14)12-4-6-15(13-28)25-21(29)17-19(23)27-20(24)18(22)26-17;/h7-10,15H,3-6,11-13H2,1-2H3,(H4-,23,24,25,27,29);1H/t15-,28-;/m0./s1
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n/an/a 70n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp base...

ACS Med Chem Lett 6: 729-31 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00186
BindingDB Entry DOI: 10.7270/Q2348N52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%