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BDBM224574 US10202383, Example 2(9)::US9321791, 2(9)::US9556175, 2(9)

SMILES: COCCn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O

InChI Key: InChIKey=RGFSTPHASBPVBC-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 = 224574   
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))
BDBM224574
PNG
(US10202383, Example 2(9) | US9321791, 2(9) | US955...)
Show SMILES COCCn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
Show InChI InChI=1S/C22H27N7O3/c1-26-19-18(20(30)28(22(26)31)10-11-32-2)29(13-16-7-4-3-6-15(16)12-23)21(25-19)27-9-5-8-17(24)14-27/h3-4,6-7,17H,5,8-11,13-14,24H2,1-2H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 264n/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))
BDBM224574
PNG
(US10202383, Example 2(9) | US9321791, 2(9) | US955...)
Show SMILES COCCn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
Show InChI InChI=1S/C22H27N7O3/c1-26-19-18(20(30)28(22(26)31)10-11-32-2)29(13-16-7-4-3-6-15(16)12-23)21(25-19)27-9-5-8-17(24)14-27/h3-4,6-7,17H,5,8-11,13-14,24H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 264n/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))
BDBM224574
PNG
(US10202383, Example 2(9) | US9321791, 2(9) | US955...)
Show SMILES COCCn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
Show InChI InChI=1S/C22H27N7O3/c1-26-19-18(20(30)28(22(26)31)10-11-32-2)29(13-16-7-4-3-6-15(16)12-23)21(25-19)27-9-5-8-17(24)14-27/h3-4,6-7,17H,5,8-11,13-14,24H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 264n/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