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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM228208'   
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))
BDBM228208
PNG
(1-[(4-phenyl-quinazolin-2-yl)methyl]-3-cyclopropyl...)
Show SMILES CC#CCn1c(nc2n(C3CC3)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCCC(N)C1
Show InChI InChI=1S/C32H32N8O2/c1-2-3-18-38-28-29(36-31(38)37-17-9-12-22(33)19-37)40(23-15-16-23)32(42)39(30(28)41)20-26-34-25-14-8-7-13-24(25)27(35-26)21-10-5-4-6-11-21/h4-8,10-11,13-14,22-23H,9,12,15-20,33H2,1H3
PDB
MMDB

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US Patent
n/an/a 6n/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