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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase IV' and Ligand = 'BDBM311858'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM311858
PNG
(US10155775, Example 4 | US10822319, represented by...)
Show SMILES CS(=O)(=O)c1ccc2CN(Cc2c1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C20H22F2N2O3S/c1-28(25,26)16-4-2-12-9-24(10-13(12)6-16)15-8-19(23)20(27-11-15)17-7-14(21)3-5-18(17)22/h2-7,15,19-20H,8-11,23H2,1H3/t15-,19+,20-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.

US Patent


Assay Description
a. White 384-well plate (Perkin Elmer, Catalog No. 607290/99)b. HEPES buffer: using 1M HEPES buffer (Invitrogen, Catalog No. 15630-080) to prepare 50...


US Patent US10822319 (2020)

More data for this
Ligand-Target Pair