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4 similar compounds to monomer 50326373

Compile data set for download or QSAR
Wt: 290.1
BDBM50200725
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Wt: 276.0
BDBM50200727
Wt: 290.1
BDBM50431241
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Wt: 262.1
BDBM142098
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50200725,50200727,50431241,142098   
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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50200725
PNG
((R)-1-(2-(N-methylbenzamido)acetyl)pyrrolidin-2-yl...)
Show SMILES CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H19BN2O4/c1-16(14(19)11-6-3-2-4-7-11)10-13(18)17-9-5-8-12(17)15(20)21/h2-4,6-7,12,20-21H,5,8-10H2,1H3/t12-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory constant against POP


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50200727
PNG
((R)-1-(2-benzamidoacetyl)pyrrolidin-2-ylboronic ac...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C13H17BN2O4/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10/h1-3,5-6,11,19-20H,4,7-9H2,(H,15,18)/t11-/m0/s1
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25n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory constant against POP


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200727
PNG
((R)-1-(2-benzamidoacetyl)pyrrolidin-2-ylboronic ac...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C13H17BN2O4/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10/h1-3,5-6,11,19-20H,4,7-9H2,(H,15,18)/t11-/m0/s1
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142n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200725
PNG
((R)-1-(2-(N-methylbenzamido)acetyl)pyrrolidin-2-yl...)
Show SMILES CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H19BN2O4/c1-16(14(19)11-6-3-2-4-7-11)10-13(18)17-9-5-8-12(17)15(20)21/h2-4,6-7,12,20-21H,5,8-10H2,1H3/t12-/m0/s1
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191n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50200725
PNG
((R)-1-(2-(N-methylbenzamido)acetyl)pyrrolidin-2-yl...)
Show SMILES CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H19BN2O4/c1-16(14(19)11-6-3-2-4-7-11)10-13(18)17-9-5-8-12(17)15(20)21/h2-4,6-7,12,20-21H,5,8-10H2,1H3/t12-/m0/s1
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1.13E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition constant against DPP-4


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50200727
PNG
((R)-1-(2-benzamidoacetyl)pyrrolidin-2-ylboronic ac...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C13H17BN2O4/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10/h1-3,5-6,11,19-20H,4,7-9H2,(H,15,18)/t11-/m0/s1
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3.84E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition constant against DPP-4


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142098
PNG
(US8933056, N-(Benzyl)- Gly-boroPro)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNCc1ccccc1
Show InChI InChI=1S/C13H19BN2O3/c17-13(16-8-4-7-12(16)14(18)19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,18-19H,4,7-10H2/t12-/m0/s1
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US Patent
n/an/a 6.90E+4n/an/an/an/a8.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM142098
PNG
(US8933056, N-(Benzyl)- Gly-boroPro)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNCc1ccccc1
Show InChI InChI=1S/C13H19BN2O3/c17-13(16-8-4-7-12(16)14(18)19)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12,15,18-19H,4,7-10H2/t12-/m0/s1
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US Patent
n/an/a 9.5n/an/an/an/a2.0n/a



Trustees of Tufts College

US Patent


Assay Description
The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...


US Patent US8933056 (2015)


BindingDB Entry DOI: 10.7270/Q2ST7NJQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50431241
PNG
(CHEMBL2333027)
Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C14H19BN2O4/c1-10(16-13(18)11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,10,12,20-21H,5,8-9H2,1H3,(H,16,18)/t10-,12+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431241
PNG
(CHEMBL2333027)
Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C14H19BN2O4/c1-10(16-13(18)11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,10,12,20-21H,5,8-9H2,1H3,(H,16,18)/t10-,12+/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair