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3 similar compounds to monomer 50191846

Compile data set for download or QSAR
Wt: 381.4
BDBM50191831
Wt: 351.4
BDBM50191833
Wt: 401.8
BDBM50191849

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50191831,50191833,50191849   
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
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50191849
PNG
(5-(3-chloro-4-fluorophenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(Cl)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C20H21ClFN5O/c1-12-18(25-11-24-12)13-5-7-27(8-6-13)19-15(10-23-20(26-19)28-2)14-3-4-17(22)16(21)9-14/h3-4,9-11,13H,5-8H2,1-2H3,(H,24,25)
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 2


(Homo sapiens)
BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50191833
PNG
(5-(4-fluoro-3-methylphenyl)-4-(4-(4-methyl-1H-imid...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)c1ncncc1-c1ccc(F)c(C)c1
Show InChI InChI=1S/C20H22FN5/c1-13-9-16(3-4-18(13)21)17-10-22-11-25-20(17)26-7-5-15(6-8-26)19-14(2)23-12-24-19/h3-4,9-12,15H,5-8H2,1-2H3,(H,23,24)
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair