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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 = 'BDBM205997'   
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))
BDBM205997
PNG
(US9255098, Ex. 3)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(Cl)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C23H24ClN7O2S/c1-3-4-10-30-19-20(27-22(30)29-9-5-6-15(25)12-29)28(2)23(33)31(21(19)32)13-18-26-16-11-14(24)7-8-17(16)34-18/h7-8,11,15H,5-6,9-10,12-13,25H2,1-2H3/t15-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/a25



Chengdu Easton Pharmaceutical Co., Ltd.

US Patent


Assay Description
Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, wh...


US Patent US9255098 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3R62
More data for this
Ligand-Target Pair