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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 = 'BDBM224594'   
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))
BDBM224594
PNG
(US10202383, Example 2(132) | US9321791, 2(132) | U...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/m1/s1
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PC sid
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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))
BDBM224594
PNG
(US10202383, Example 2(132) | US9321791, 2(132) | U...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/m1/s1
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UniProtKB/SwissProt

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antibodypedia
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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))
BDBM224594
PNG
(US10202383, Example 2(132) | US9321791, 2(132) | U...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-22-23(29-25(32)31-12-8-9-18(27)15-31)30(3)26(35)33(24(22)34)16-21-20-11-7-6-10-19(20)17(2)14-28-21/h6-7,10-11,14,18H,8-9,12-13,15-16,27H2,1-3H3/t18-/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 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