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4 similar compounds to monomer 11572

Compile data set for download or QSAR
Wt: 276.3
BDBM11562
Wt: 290.3
BDBM11565
Wt: 294.3
BDBM11573
Wt: 294.3
BDBM11574

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 11562,11565,11573,11574   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11562
PNG
(5-(aminomethyl)-2,6-diphenylpyrimidin-4-amine | Am...)
Show SMILES NCc1c(N)nc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,11,18H2,(H2,19,20,21)
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Article
PubMed
n/an/a 4.20E+4n/an/an/an/a7.522



Hoffmann-La Roche Inc



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11565
PNG
(1b-para-Me | 5-(aminomethyl)-6-(4-methylphenyl)-2-...)
Show SMILES Cc1ccc(cc1)-c1nc(nc(N)c1CN)-c1ccccc1
Show InChI InChI=1S/C18H18N4/c1-12-7-9-13(10-8-12)16-15(11-19)17(20)22-18(21-16)14-5-3-2-4-6-14/h2-10H,11,19H2,1H3,(H2,20,21,22)
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/a7.522



Hoffmann-La Roche Inc



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11562
PNG
(5-(aminomethyl)-2,6-diphenylpyrimidin-4-amine | Am...)
Show SMILES NCc1c(N)nc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,11,18H2,(H2,19,20,21)
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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Graduate University of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6630-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.093
BindingDB Entry DOI: 10.7270/Q2DN45GR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11574
PNG
(1b-para-F | 5-(aminomethyl)-6-(4-fluorophenyl)-2-p...)
Show SMILES NCc1c(N)nc(nc1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C17H15FN4/c18-13-8-6-11(7-9-13)15-14(10-19)16(20)22-17(21-15)12-4-2-1-3-5-12/h1-9H,10,19H2,(H2,20,21,22)
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/a7.522



Hoffmann-La Roche Inc



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11573
PNG
(1b-meta-F | 5-(aminomethyl)-6-(3-fluorophenyl)-2-p...)
Show SMILES NCc1c(N)nc(nc1-c1cccc(F)c1)-c1ccccc1
Show InChI InChI=1S/C17H15FN4/c18-13-8-4-7-12(9-13)15-14(10-19)16(20)22-17(21-15)11-5-2-1-3-6-11/h1-9H,10,19H2,(H2,20,21,22)
PDB
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Article
PubMed
n/an/a 4.00E+4n/an/an/an/a7.522



Hoffmann-La Roche Inc



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair