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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM224613'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM224613
PNG
(US10202383, Example 2(285) | US9321791, 2(285) | U...)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C24H28N6O4/c1-4-5-12-29-20-21(26-23(29)28-11-7-9-17(25)14-28)27(2)24(33)30(22(20)32)15-19(31)16-8-6-10-18(13-16)34-3/h6,8,10,13,17H,7,9,11-12,14-15,25H2,1-3H3/t17-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 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))
BDBM224613
PNG
(US10202383, Example 2(285) | US9321791, 2(285) | U...)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C24H28N6O4/c1-4-5-12-29-20-21(26-23(29)28-11-7-9-17(25)14-28)27(2)24(33)30(22(20)32)15-19(31)16-8-6-10-18(13-16)34-3/h6,8,10,13,17H,7,9,11-12,14-15,25H2,1-3H3/t17-/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 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))
BDBM224613
PNG
(US10202383, Example 2(285) | US9321791, 2(285) | U...)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show InChI InChI=1S/C24H28N6O4/c1-4-5-12-29-20-21(26-23(29)28-11-7-9-17(25)14-28)27(2)24(33)30(22(20)32)15-19(31)16-8-6-10-18(13-16)34-3/h6,8,10,13,17H,7,9,11-12,14-15,25H2,1-3H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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