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BDBM224601 US10202383, Example 2(150)::US9321791, 2(150)::US9556175, 2(150)

SMILES: CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O

InChI Key: InChIKey=LUMINBGDSKHBAQ-BDUNBXCCSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224601   
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))
BDBM224601
PNG
(US10202383, Example 2(150) | US9321791, 2(150) | U...)
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O
Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM224601
PNG
(US10202383, Example 2(150) | US9321791, 2(150) | U...)
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O
Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM224601
PNG
(US10202383, Example 2(150) | US9321791, 2(150) | U...)
Show SMILES CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O
Show InChI InChI=1S/C26H33N7O5/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-17(27)14-31)30(3)26(37)33(24(22)36)15-19(34)18-10-6-7-11-20(18)38-16-21(35)28-2/h4-7,10-11,17H,8-9,12-16,27H2,1-3H3,(H,28,35)/b5-4+/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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