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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 = 'BDBM50376993'   
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))		BDBM50376993
PNG
(CHEMBL255517)
Show SMILES CC#CCn1c(nnc1C(=O)NCc1nc(C)cc2ccccc12)N1CCCC(N)C1 |w:28.31|
Show InChI InChI=1S/C23H27N7O/c1-3-4-12-30-21(27-28-23(30)29-11-7-9-18(24)15-29)22(31)25-14-20-19-10-6-5-8-17(19)13-16(2)26-20/h5-6,8,10,13,18H,7,9,11-12,14-15,24H2,1-2H3,(H,25,31)
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n/an/a 24n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr

Bioorg Med Chem Lett 18: 3158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M
More data for this
Ligand-Target Pair