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BDBM224573 US10202383, Example 2(3)::US9321791, 2(3)::US9556175, 2(3)

SMILES: [#6]-[#6](-[#6](=O)-c1ccccc1)-n1c(=O)n(-[#6])c2nc(-[#7]-3-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O

InChI Key: InChIKey=NGHCPUTUXDWBEH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224573   
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))
BDBM224573
PNG
(US10202383, Example 2(3) | US9321791, 2(3) | US955...)
Show SMILES [#6]-[#6](-[#6](=O)-c1ccccc1)-n1c(=O)n(-[#6])c2nc(-[#7]-3-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O
Show InChI InChI=1S/C25H32N6O3/c1-16(2)12-14-30-20-22(27-24(30)29-13-8-11-19(26)15-29)28(4)25(34)31(23(20)33)17(3)21(32)18-9-6-5-7-10-18/h5-7,9-10,12,17,19H,8,11,13-15,26H2,1-4H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.16E+3n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...


US Patent US9321791 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WNR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM224573
PNG
(US10202383, Example 2(3) | US9321791, 2(3) | US955...)
Show SMILES [#6]-[#6](-[#6](=O)-c1ccccc1)-n1c(=O)n(-[#6])c2nc(-[#7]-3-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O
Show InChI InChI=1S/C25H32N6O3/c1-16(2)12-14-30-20-22(27-24(30)29-13-8-11-19(26)15-29)28(4)25(34)31(23(20)33)17(3)21(32)18-9-6-5-7-10-18/h5-7,9-10,12,17,19H,8,11,13-15,26H2,1-4H3
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.16E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....


US Patent US10202383 (2019)


BindingDB Entry DOI: 10.7270/Q2P55QNN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM224573
PNG
(US10202383, Example 2(3) | US9321791, 2(3) | US955...)
Show SMILES [#6]-[#6](-[#6](=O)-c1ccccc1)-n1c(=O)n(-[#6])c2nc(-[#7]-3-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O
Show InChI InChI=1S/C25H32N6O3/c1-16(2)12-14-30-20-22(27-24(30)29-13-8-11-19(26)15-29)28(4)25(34)31(23(20)33)17(3)21(32)18-9-6-5-7-10-18/h5-7,9-10,12,17,19H,8,11,13-15,26H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.16E+3n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....


US Patent US9556175 (2017)


BindingDB Entry DOI: 10.7270/Q2Z03B5T
More data for this
Ligand-Target Pair