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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 = 'BDBM50339097'   
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))		BDBM50339097
PNG
(CHEMBL1688418 | ethyl 1-(5-(aminomethyl)-4-(4-fluo...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cc(-c2ccc(F)cc2)c(CN)c(C)n1
Show InChI InChI=1S/C22H26FN3O3/c1-3-29-22(28)16-8-10-26(11-9-16)21(27)20-12-18(19(13-24)14(2)25-20)15-4-6-17(23)7-5-15/h4-7,12,16H,3,8-11,13,24H2,1-2H3
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n/an/a 937n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...

ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair