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10 similar compounds to monomer 50140541

Compile data set for download or QSAR
Wt: 327.4
BDBM17323
Wt: 228.3
BDBM50140539
Wt: 228.3
BDBM50140527
Wt: 232.2
BDBM50172139
Wt: 246.2
BDBM50172140
Wt: 246.2
BDBM50172141
Wt: 246.2
BDBM50172145
Wt: 313.4
BDBM50221982
Wt: 282.2
BDBM50241053
Wt: 228.3
BDBM50265202

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 17323,50140539,50140527,50172139,50172140,50172141,50172145,50221982,50241053,50265202   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140527
PNG
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172141
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)C(F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9?,10?,11-/m0/s1
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61n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV calculated from IC50 from standard dose inhibition curve using cheng-Prussoff equation; range=61+/...


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172139
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2/t9-/m0/s1
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117n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140539
PNG
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1
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128n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172145
PNG
((S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-p...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](F)[C@H](F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11+/m1/s1
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504n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172140
PNG
((S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-p...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@H](F)[C@@H](F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11-/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50140539
PNG
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1
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>9.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human ERG potassium ion channel was determined


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50140527
PNG
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1
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>9.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human ERG potassium ion channel was determined


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221982
PNG
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O
Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 5806-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50221982
PNG
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O
Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


Bioorg Med Chem Lett 17: 5806-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50221982
PNG
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O
Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 17: 5806-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50265202
PNG
((2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC(F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10?,11-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221982
PNG
(CHEMBL237547 | N-((1S,4r)-4-((2S,3S)-3-amino-4-((S...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)NC(C)=O
Show InChI InChI=1S/C16H28FN3O2/c1-10(12-3-5-14(6-4-12)19-11(2)21)15(18)16(22)20-8-7-13(17)9-20/h10,12-15H,3-9,18H2,1-2H3,(H,19,21)/t10-,12-,13-,14-,15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP9


Bioorg Med Chem Lett 17: 5806-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.049
BindingDB Entry DOI: 10.7270/Q2251HXN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50140539
PNG
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzyme


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140539
PNG
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Dipeptidyl-peptidase IV


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140527
PNG
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Dipeptidyl-peptidase IV


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50140527
PNG
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzyme


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM17323
PNG
(N-{4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O
Show InChI InChI=1S/C17H30FN3O2/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22/h11,13-16H,4-10,19H2,1-3H3/t11-,13?,14-,15?,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 17: 2879-85 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.066
BindingDB Entry DOI: 10.7270/Q2V986BG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50241053
PNG
((S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyr...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C12H18F4N2O/c13-11(14)6-18(7-12(11,15)16)10(19)9(17)8-4-2-1-3-5-8/h8-9H,1-7,17H2/t9-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM17323
PNG
(N-{4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O
Show InChI InChI=1S/C17H30FN3O2/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22/h11,13-16H,4-10,19H2,1-3H3/t11-,13?,14-,15?,16-/m0/s1
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n/an/a 16n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 17: 2879-85 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.066
BindingDB Entry DOI: 10.7270/Q2V986BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM17323
PNG
(N-{4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1...)
Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O
Show InChI InChI=1S/C17H30FN3O2/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22/h11,13-16H,4-10,19H2,1-3H3/t11-,13?,14-,15?,16-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product, which was monitored by excitation at 400 nm and measurement of fluorescent ...


Bioorg Med Chem Lett 17: 2879-85 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.066
BindingDB Entry DOI: 10.7270/Q2V986BG
More data for this
Ligand-Target Pair