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BDBM224581 US10202383, Example 2(37)::US9321791, 2(37)::US9556175, 2(37)

SMILES: [#6]-[#7]-[#6](=O)-c1cccc(c1)-[#6](=O)-[#6]-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=RPGBTRWSSFXHAP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 224581   
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))
BDBM224581
PNG
(US10202383, Example 2(37) | US9321791, 2(37) | US9...)
Show SMILES [#6]-[#7]-[#6](=O)-c1cccc(c1)-[#6](=O)-[#6]-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/C26H33N7O4/c1-16(2)10-12-32-21-22(29-25(32)31-11-6-9-19(27)14-31)30(4)26(37)33(24(21)36)15-20(34)17-7-5-8-18(13-17)23(35)28-3/h5,7-8,10,13,19H,6,9,11-12,14-15,27H2,1-4H3,(H,28,35)
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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM224581
PNG
(US10202383, Example 2(37) | US9321791, 2(37) | US9...)
Show SMILES [#6]-[#7]-[#6](=O)-c1cccc(c1)-[#6](=O)-[#6]-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/C26H33N7O4/c1-16(2)10-12-32-21-22(29-25(32)31-11-6-9-19(27)14-31)30(4)26(37)33(24(21)36)15-20(34)17-7-5-8-18(13-17)23(35)28-3/h5,7-8,10,13,19H,6,9,11-12,14-15,27H2,1-4H3,(H,28,35)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM224581
PNG
(US10202383, Example 2(37) | US9321791, 2(37) | US9...)
Show SMILES [#6]-[#7]-[#6](=O)-c1cccc(c1)-[#6](=O)-[#6]-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/C26H33N7O4/c1-16(2)10-12-32-21-22(29-25(32)31-11-6-9-19(27)14-31)30(4)26(37)33(24(21)36)15-20(34)17-7-5-8-18(13-17)23(35)28-3/h5,7-8,10,13,19H,6,9,11-12,14-15,27H2,1-4H3,(H,28,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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