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BDBM50338432 (R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine::CHEMBL1683138

SMILES: NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F

InChI Key: InChIKey=FGSRUDZYLYKIIO-GOSISDBHSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50338432   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50338432
PNG
((R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperid...)
Show SMILES NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
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Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50338432
PNG
((R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperid...)
Show SMILES NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
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Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50338432
PNG
((R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperid...)
Show SMILES NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338432
PNG
((R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperid...)
Show SMILES NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50338432
PNG
((R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperid...)
Show SMILES NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair